C R C logo Handbook of Chemistry and Physics Online
C R C logo Handbook of Chemistry and Physics Online


Section: 5 | Aqueous Solubility and Henry's Law Constants of Organic Compounds |
Help Manual
Page of 87
Type a page number and hit Enter.
/87
  Back to Search Results
 Type a page number and hit Enter.
 
Additional Information
One or more tables in this document differ to those in the book. This is due to space restrictions in the book.
Summary of table differences
The table 'Aqueous Solubility and Henry's Law Constants for Organic Compounds' has one or more different columns to those in the book version.
How to Cite this Reference
The recommended form of citation is:
John R. Rumble, ed., CRC Handbook of Chemistry and Physics, 103rd Edition (Internet Version 2022), CRC Press/Taylor & Francis, Boca Raton, FL.
If a specific table is cited, use the format: "Physical Constants of Organic Compounds," in CRC Handbook of Chemistry and Physics, 103rd Edition (Internet Version 2022), John R. Rumble, ed., CRC Press/Taylor & Francis, Boca Raton, FL.

AQUEOUS SOLUBILITY AND HENRY'S LAW CONSTANTS OF ORGANIC COMPOUNDS

The solubility in water of about 1300 organic compounds, including many compounds of environmental interest, is tabulated here. When data are available, values are given at several temperatures between 0 °C and 100 °C. Solids, liquids, and gases are included; additional data on gases can be found in the table “Solubility of Selected Gases in Water” in this section.

Solubility of solids is defined as the concentration of the compound in a solution that is in equilibrium with the solid phase at the specified temperature and one atmosphere pressure. For liquids whose water mixtures separate into two phases, the solubility given here is the concentration of the specified compound in the water-rich phase at equilibrium. In the case of gases (i.e., compounds whose vapor pressure at the specified temperature exceeds one atmosphere) the solubility is defined here as the concentration in the water phase when the partial pressure of the compound above the solution is 101.325 kPa (1 atm). Values for gases are marked with an asterisk.

The solubility values in this table are expressed as mass percent of solute, s = 100w2, where the mass fraction w2 is defined as

w2 = m2/(m1 + m2)

where m2 is the mass of solute and m1 the mass of water. For convenience, the solubility expressed in grams of solute that will dissolve in 1 kilogram of water is tabulated in the adjacent column to mass percent. For compounds with low solubility (e.g., s < 1%), that column is, to a high approximation, numerically identical to the solubility expressed in grams of solute per liter of solution.

The mass fraction w2 is related to other common measures of solubility as follows:

Here, M2 is the molar mass of the solute, M1 = 18.015 g/mol is the molar mass of water, and ρ is the density of the solution in g/mL.

Data have been selected from evaluated sources wherever possible, in particular the IUPAC Solubility Data Series. Many values come from experimental measurements reported in the Journal of Chemical and Engineering Data and the Journal of Chemical Thermodynamics, as well as critical review papers in the Journal of Physical and Chemical Reference Data. The primary source for each value is listed in the column following the solubility values; additional references of interest are sometimes given. Many of the references contain solubility data at other temperatures and pH values and in the presence of other compounds. The user is cautioned that wide variations of data are found in the literature for the lower solubility compounds. The references should be consulted for more information on these compounds.

The table also contains values of the Henry’s Law constant kH, which provides a measure of the partition of a substance between the atmosphere and the aqueous phase. Here, kH is defined as the limit of p2/c2 as the concentration approaches zero, where p2 is the partial pressure of the solute above the solution and c2 is the concentration in the solution at equilibrium (other formulations of Henry’s Law are often used (see Ref. 5, and especially Ref. 128). The values of kH listed here are based on direct experimental measurement whenever available, but many of them are simply calculated as the ratio of the pure compound vapor pressure to the solubility. This approximation is reliable only for compounds of very low solubility. In fact, values of kH found in the literature frequently differ by a factor of two or three, and variations over an order of magnitude are not unusual (Refs. 5, 128, and 129). Therefore, the data given here should be taken only as a rough indication of the true Henry’s Law constant, which is difficult to measure precisely. Refs. 128 and 129 have a more complete compilation of measured and calculated Henry's Law constants.

All values of kH refer to 25 °C. If the vapor pressure of the compound at 25 °C is greater than one atmosphere, it can be assumed that the kH value has been calculated as 101.325/c2. The source of the Henry’s Law data is given in the last column. The air-water partition coefficient (i.e., ratio of air concentration to water concentration when both are expressed in the same units) is equal to kH/RT or kH/2.48 in the units used here.

Column definitions for the table are as follows.

Column heading
 Definition
Name Compound name, listed alphabetically by systematic name
Mol. form. Molecular formula of compound in Hill Order
CAS Reg. No. Chemical Abstracts Service Registry Number
Mol. wt. Molecular weight of the compound; calculated with 2009 IUPAC values
t/°C Temperature of measurement
s/mass% Solubility of compound in water, in units of mass percent
s/g kg-1 H2O Solubility of compound in water, in units of g kg-1 H2O
Ref. Reference number for solubility data
kH/kPa m3 mol-1 Henry's Law constant, kH, in units of kPa m3 mol-1
Ref. Reference number for Henry's Law constant, kH

We acknowledge Rolf Sander and Jennifer E. Searles for their help with updating the Henry's Law constant data.

References

  1. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 15, Pergamon Press, Oxford, 1982.
  2. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 20, Pergamon Press, Oxford, 1985.
  3. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 37, Pergamon Press, Oxford, 1988.
  4. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 38, Pergamon Press, Oxford, 1988.
  5. Mackay, D., and Shiu, W. Y., J. Phys. Chem. Ref. Data, 10, 1175, 1981. [https://doi.org/10.1063/1.555654]
  6. Pearlman, R. S., and Yalkowsky, S. H., J. Phys. Chem. Ref. Data, 13, 975, 1984. [https://doi.org/10.1063/1.555712]
  7. Shiu, W. Y., and Mackay, D., J. Phys. Chem. Ref. Data, 15, 911, 1986. [https://doi.org/10.1063/1.555755]
  8. Varhanickova, D., Lee, S. C., Shiu, W. Y., and Mackay, D., J. Chem. Eng. Data, 40, 620, 1995. [https://doi.org/10.1021/je00019a018]
  9. Miller, M. M., Ghodbane, S., Wasik, S. P., Tewari, Y. B., and Martire, D. E., J. Chem. Eng. Data, 29, 184, 1984. [https://doi.org/10.1021/je00036a027]
  10. Riddick, J. A., Bunger, W. B., and Sakano, T. K., Organic Solvents, Fourth Edition, John Wiley & Sons, New York, 1986.
  11. Mackay, D., Shiu, W. Y., and Ma, K. C., Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. I, Lewis Publishers/CRC Press, Boca Raton, FL, 1992.
  12. Mackay, D., Shiu, W. Y., and Ma, K. C., Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. II, Lewis Publishers/CRC Press, Boca Raton, FL, 1992.
  13. Mackay, D., Shiu, W. Y., and Ma, K. C., Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. III, Lewis Publishers/CRC Press, Boca Raton, FL, 1993.
  14. Horvath, A. L., Halogenated Hydrocarbons, Marcel Dekker, New York, 1982.
  15. Howard, P. H., Handbook of Environmental Fate and Exposure Data for Organic Chemicals, Vol. I, Lewis Publishers/CRC Press, Boca Raton, FL, 1989.
  16. Howard, P. H., Handbook of Environmental Fate and Exposure Data for Organic Chemicals, Vol. II, Lewis Publishers/CRC Press, Boca Raton, FL, 1990.
  17. Banergee, S., Yalkowsky, S. H., and Valvani, S. C., Environ. Sci. Technol., 14, 1227, 1980. [https://doi.org/10.1021/es60170a013]
  18. Gevantman, L. H., in CRC Handbook of Chemistry and Physics, 90th Edition, pp. 8–80, CRC Press, Boca Raton, FL, 2009.
  19. Wilhelm, E., Battino, R., and Wilcock, R. J., Chem. Rev. 77, 219, 1977. [https://doi.org/10.1021/cr60306a003]
  20. Stephenson, R. M., J. Chem. Eng. Data, 37, 80, 1992. [https://doi.org/10.1021/je00005a024]
  21. Stephenson, R. M., Stuart, J., and Tabak, M., J. Chem. Eng. Data, 29, 287, 1984. [https://doi.org/10.1021/je00037a019]
  22. Shiu, W.-Y., and Ma, K.-C, J. Phys. Chem. Ref. Data, 29, 41, 2000. [https://doi.org/10.1063/1.556055]
  23. Lun, R., Varhanickova, D., Shiu, W.-Y., and Mackay, D., J. Chem. Eng. Data, 42, 951 (1997). [https://doi.org/10.1021/je970069v]
  24. Huang, G.-L., Xiao, H., Chi, J., Shiu, W.-Y., and Mackay, D., J. Chem. Eng. Data, 45, 411, 2000. [https://doi.org/10.1021/je990262k]
  25. Horvath, A. L., Getzen, F. W., and Maczynska, Z., J. Phys. Chem. Ref. Data, 28, 395, 2000 [IUPAC No. 67]. [https://doi.org/10.1063/1.556039]
  26. Dawson, R. M. C., Elliott, D. C., Elliott, W. H., and Jones, K. M., Data for Biochemical Research, Third Edition, Clarendon Press, Oxford, 1986.
  27. Stephen, H., and Stephen, T., Solubilities of Organic and Inorganic Compounds, MacMillan, New York, 1963.
  28. Shiu, W.-Y., and Mackay, D., J. Chem. Eng. Data 42, 27, 1997. [https://doi.org/10.1021/je960218u]
  29. Hinz, H.-J., ed., Thermodynamic Data for Biochemistry and Biotechnology, Springer-Verlag, Berlin, 1986. [https://doi.org/10.1007/978-3-642-71114-5]
  30. Budavari, S., ed., The Merck Index, Twelfth Edition, Merck & Co., Rahway, NJ, 1996.
  31. Bamford, H. A., Poster, D. L., and Baker, J. E., J. Chem. Eng. Data, 45, 1069, 2000. [https://doi.org/10.1021/je0000266]
  32. Lide, D. R., and Milne, G. W. A., Handbook of Data on Organic Compounds, Third Edition, CRC Press, Boca Raton, FL, 1994.
  33. Apelblat, A., and Manzurola, E., J. Chem. Thermodynamics 21, 1005, 1989.
  34. Apelblat, A., and Manzurola, E., J. Chem. Thermodynamics 22, 289, 1990. [https://doi.org/10.1016/0021-9614(90)90201-Z]
  35. Horvath, A. L., and Getzen, F. W., J. Phys. Chem. Ref. Data 28, 649, 1999 [IUPAC No. 68]. [https://doi.org/10.1063/1.556051]
  36. Sazonov, V. P., Marsh, K. N., and Hefter, G. T., J. Phys. Chem. Ref. Data 29, 1165, 2000 [IUPAC No. 71]. [https://doi.org/10.1063/1.1329911]
  37. Verbruggen, E. M. J., Hermens, J. L. M., and Tolls, J., J. Phys. Chem. Ref. Data 29, 1435, 2000. [https://doi.org/10.1063/1.1347983]
  38. Sazonov, V. P., Shaw, D. G., and Marsh, K. N., J. Phys. Chem. Ref. Data 31, 1, 2002 [IUPAC No. 77]. [https://doi.org/10.1063/1.1417522]
  39. Sazonov, V. P., and Shaw, D. G., J. Phys. Chem. Ref. Data 31, 989, 2002 [IUPAC No. 78]. [https://doi.org/10.1063/1.1494086]
  40. Yalkowsky, S. H., and He, Y., Handbook of Aqueous Solubility Data, CRC Press, Boca Raton, FL, 2003. [https://doi.org/10.1201/9780203490396]
  41. Shiu, W.-Y., and Ma, K.-C., J. Phys. Chem. Ref. Data 29, 387, 2000. [https://doi.org/10.1063/1.1286267]
  42. Shaw, D. G., and Maczynski, A., J. Phys. Chem. Ref. Data 35, 687, 2006 [IUPAC No. 81, Part 11]. [https://doi.org/10.1063/1.2132315]
  43. Nordstrom, F. L., and Rasmuson, A. C., J. Chem. Eng. Data 51, 1668, 2006. [https://doi.org/10.1021/je060134d]
  44. Nordstrom, F. L., and Rasmuson, A. C., J. Chem. Eng. Data 51, 1775, 2006. [https://doi.org/10.1021/je060178m]
  45. Sapoundjiev, D., Lorenz, H,. and Seidel-Morgenstern, A., J. Chem. Eng. Data 51, 1562, 2006. [https://doi.org/10.1021/je060053h]
  46. Marche, C., Ferronato, C., and Jose, J., J. Chem. Eng. Data 48, 967, 2003. [https://doi.org/10.1021/je025659u]
  47. Lu, J., Wang, X., Yang, X., and Ching, C., J. Chem. Eng. Data 51, 1593, 2006. [https://doi.org/10.1021/je0600754]
  48. Achard, C., Jaoui, M., Schwing, M., and Rogalski, M., J. Chem. Eng. Data 41, 504, 1996. [https://doi.org/10.1021/je950202o]
  49. Shareef, A., et al., J. Chem. Eng. Data 51, 879, 2006. [https://doi.org/10.1021/je050318c]
  50. Clever, H. L., et al., J. Phys. Chem. Ref. Data 34, 201, 2005 [IUPAC No. 80]. [https://doi.org/10.1063/1.2062308]
  51. Jaoui, M., Achard, C., and Rogalski, M., J. Chem. Eng. Data 47, 297, 2002. [https://doi.org/10.1021/je0102309]
  52. Fichan, I., Larroche, C., and Gros, J. B., J. Chem. Eng. Data 44, 56, 1999. [https://doi.org/10.1021/je980070+]
  53. Freire, M. G., et al., J. Chem. Eng. Data 50, 237, 2005. [https://doi.org/10.1021/je049707h]
  54. Domanska, U., and Kozlowska, M. K., J. Chem. Eng. Data 47, 456, 2002. [https://doi.org/10.1021/je0103014]
  55. Phelan, J. M., and Barnett, J. L., J. Chem. Eng. Data 46, 375, 2001. [https://doi.org/10.1021/je000300w]
  56. Long, B-W., Wang, L-S., and Wu, J-S., J. Chem. Eng. Data 50, 136, 2005. [https://doi.org/10.1021/je049784c]
  57. Marche, C., Ferronato, C., and Jose, J., J. Chem. Eng. Data 49, 937, 2004. [https://doi.org/10.1021/je0342567]
  58. Oleszek-Kudlak, S., Shibata, E., and Nakamura, T., J. Chem. Eng. Data 49, 570, 2004. [https://doi.org/10.1021/je034170d]
  59. Lynch, J. C., et al., J. Chem. Eng. Data 46, 1549, 2001.
  60. Xiao, H., Li, N., and Wania, F., J. Chem. Eng. Data 49, 173, 2004. [https://doi.org/10.1021/je034214i]
  61. Ma, J. H. Y., Hung, H., Shiu, W-Y., and Mackay, D., J. Chem. Eng. Data 46, 619, 2001. [https://doi.org/10.1021/je000341s]
  62. Carta, R., and Tola, G., J. Chem. Eng. Data 41, 414, 1996; 44, 563, 1999. [https://doi.org/10.1021/je9501853]
  63. Kao, H. D., et al., Pharm. Res. 17, 978, 2000. [https://doi.org/10.1023/A:1007583422634]
  64. Heric, E. L., and Langford, R. E., J. Chem. Eng. Data 17, 471, 1972. [https://doi.org/10.1021/je60055a013]
  65. Marche, C., Delépine, H., Ferronato, C., and Jose, J., J. Chem. Eng. Data 48, 398, 2003. [https://doi.org/10.1021/je025609p]
  66. Wang, L-C, and Wang, F-A, J. Chem. Eng. Data 49, 155, 2004. [https://doi.org/10.1021/je049968r]
  67. Shen, L, and Wania, F., J. Chem. Eng. Data 50, 742, 2005. [https://doi.org/10.1021/je049693f]
  68. Oleszek-Kudlak, S., Shibata, E., and Nakamura, T., J. Chem. Eng. Data 52, 1824, 2007. [https://doi.org/10.1021/je700185m]
  69. Zhao, H-K., Li, R-R, Ji, H-Z, Zhang, D-S., Tang, C., and Yang, L-Q., J. Chem. Eng. Data 52, 2072, 2007. [https://doi.org/10.1021/je7002594]
  70. Yang, X., Wang, X., and Ching, C. B., J. Chem. Eng. Data 53, 1133, 2008. [https://doi.org/10.1021/je7006988]
  71. Liu, L., and Chen, J., J. Chem. Eng. Data 53, 1649, 2008. [https://doi.org/10.1021/je800078j]
  72. Szterner, P., J. Chem. Eng. Data 53, 1738, 2008. [https://doi.org/10.1021/je800029c]
  73. Kong, M-Z., Shi, X-H, Cao, Y-C., and Zhou, C-R., J. Chem. Eng. Data 53, 615, 2008. [https://doi.org/10.1021/je7004038]
  74. Daneshfar, A., Ghaziaskar, H. S., and Homayoun, N., J. Chem. Eng. Data 53, 776, 2008. [https://doi.org/10.1021/je700633w]
  75. Manzurola, E., and Apelblat, A., J. Chem. Thermodynamics 34, 1127, 2002. [https://doi.org/10.1006/jcht.2002.0975]
  76. Apelblat, A., Manzurola, E., and Balal, N. A., J. Chem. Thermodynamics 38, 565, 2006. [https://doi.org/10.1016/j.jct.2005.07.007]
  77. Apelblat, A., and Mishelevich, A., J. Chem. Thermodynamics 40, 897, 2008. [https://doi.org/10.1016/j.jct.2007.12.006]
  78. Góral, M., Winiewska-Goclowska, B., and Mczyski, A., J. Phys. Chem. Ref. Data 35, 1391, 2006. [https://doi.org/10.1063/1.2203354]
  79. Mczyski, A., Shaw, D. G., Góral, M., and Winiewska-Goclowska, B., J. Phys. Chem. Ref. Data 37, 1119, 2008. [https://doi.org/10.1063/1.2838022]
  80. Mczyski, A., Shaw, D. G., Góral, M., and Winiewska-Goclowska, B., J. Phys. Chem. Ref. Data 37, 1147, 2008. [https://doi.org/10.1063/1.2839271]
  81. Mczyski, A., Shaw, D. G., Góral, M., and Winiewska-Goclowska, B., J. Phys. Chem. Ref. Data 37, 1169, 2008. [https://doi.org/10.1063/1.2839272]
  82. Mczyski, A., Shaw, D. G., Góral, M., and Winiewska-Goclowska, B., J. Phys. Chem. Ref. Data 37, 1517, 2008. [https://doi.org/10.1063/1.2945626]
  83. Mczyski, A., Shaw, D. G., Góral, M., and Winiewska-Goclowska, B., J. Phys. Chem. Ref. Data 37, 1575, 2008. [https://doi.org/10.1063/1.2950300]
  84. Mczyski, A., Shaw, D. G., Góral, M., and Winiewska-Goclowska, B., J. Phys. Chem. Ref. Data 37, 1611, 2008. [https://doi.org/10.1063/1.2953801]
  85. Luning Prak, D. J., and O’Sullivam, D. W., J. Chem. Eng. Data 51, 448, 2006. [https://doi.org/10.1021/je050373l]
  86. Shiu, W.-Y., Wania, F., Hung, H., and Mackay, D., J. Chem. Eng. Data 42, 293, 1997. [https://doi.org/10.1021/je960299u]
  87. Mczyski, A., and Shaw, D. G., J. Phys. Chem. Ref. Data 36, 59, 2007. [https://doi.org/10.1063/1.2366707]
  88. Mczyski, A., and Shaw, D. G., J. Phys. Chem. Ref. Data 36, 133, 2007. [https://doi.org/10.1063/1.2366719]
  89. Góral, M., Winiewska-Goclowska, B., and Mczyski, A., J. Phys. Chem. Ref. Data 33, 1159, 2004. [https://doi.org/10.1063/1.1797038]
  90. Heric, E. L., and Langford, R. E., J. Chem. Eng. Data 17, 209, 1972. [https://doi.org/10.1021/je60053a022]
  91. Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and Piringer, O. G., Chemosphere 39, 1871-1887, 1999. <doi:10.1016/S0045-6535(99)00082-X>.
  92. Arp, H. P. H. and Schmidt, T. C., Environ. Sci. Technol. 38, 5405-5412, 2004. <doi:10.1021/ES049286O>.
  93. Bakierowska, A.-M. and Trzeszczyński, J., Fluid Phase Equilib. 213, 139-146, 2003. <doi:10.1016/S0378-3812(03)00286-3>.
  94. Brockbank, S. A., Russon, J. L., Giles, N. F., Rowley, R. L., and Wilding, W. V., Fluid Phase Equilib., 348, 45-51, 2013. <doi:10.1016/J.FLUID.2013.03.023>.
  95. Brunner, S., Hornung, E., Santl, H., Wolff, E., Piringer, O. G., Altschuh, J., and Brüggemann, R., Environ. Sci. Technol. 24, 1751-1754, 1990. <doi:10.1021/ES00081A021>.
  96. Dewulf, J., van Langenhove, H., and Everaert, P., J. Chromatogr. A 830, 353-363, 1999. <doi:10.1016/S0021-9673(98)00877-2>.
  97. Dohányosová, P., Sarraute, S., Dohnal, V., Majer, V., and Costa Gomes, M., Ind. Eng. Chem. Res. 43, 2805-2815, 2004. <doi:10.1021/IE030800T>.
  98. Dohnal, V. and Hovorka, S., Ind. Eng. Chem. Res. 38, 2036-2043, 1999. <doi:10.1021/IE980743H>.
  99. Dunnivant, F. M. and Elzerman, A. W. Chemosphere 17, 525-541, 1988. <doi:10.1016/0045-6535(88)90028-8>.
  100. Dunnivant, F. M., Elzerman, A. W., Jurs, P. C., and Hasan, M. N., Environ. Sci. Technol. 26, 1567-1573, 1992. <doi:10.1021/ES00032A012>.
  101. Fogg, P. and Sangster, J., Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., New York, 2003.
  102. Hiatt, M. H., J. Chem. Eng. Data 58, 902-908, 2013. <doi:10.1021/JE3010535>.
  103. Hoff, J. T., Mackay, D., Gillham, R., and Shiu, W. Y., Environ. Sci. Technol. 27, 2174-2180, 1993. <doi:10.1021/ES00047A026>.
  104. Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), 2015. <http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm>.
  105. Ji, C. and Evans, E. M., Environ. Toxicol. Chem. 26, 231-236, 2007. <doi:10.1897/06-339R.1>.
  106. Kim, B. R., Kalis, E. M., DeWulf, T., and Andrews, K. M., Water Environ. Res. 72, 65-74, 2000. <doi:10.2175/106143000X137121>.
  107. Lau, F. K., Charles, M. J., and Cahill, T. M., J. Chem. Eng. Data 51, 871-878, 2006. <doi:10.1021/JE050308B>.
  108. Lee, H., Kim, H.-J., and Kwon, J.-H., J. Chem. Eng. Data 57, 3296-3302, 2012. <doi:10.1021/JE300954S>.
  109. Li, J. and Carr, P. W., Anal. Chem. 65, 1443-1450, 1993. <doi:10.1021/AC00058A023>.
  110. Li, J., Dallas, A. J., Eikens, D. I., Carr, P. W., Bergmann, D. L., Hait, M. J., and Eckert, C. A., Anal. Chem. 65, 3212-3218, 1993. <doi:10.1021/AC00070A008>.
  111. Li, N., Wania, F., Lei, Y. D., and Daly, G. L., J. Phys. Chem. Ref. Data 32, 1545-1590, 2003. <doi:10.1063/1.1562632>.
  112. Ma, Y.-G., Lei, Y. D., Xiao, H., Wania, F., and Wang, W.-H., J. Chem. Eng. Data, 55, 819-825, 2010. <doi:10.1021/JE900477X>.
  113. Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C., Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. I of Introduction and Hydrocarbons, Taylor & Francis, Boca Raton, FL, 2006. [https://doi.org/10.1201/9781420044393]
  114. Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C., Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol. II of Halogenated Hydrocarbons, Taylor & Francis, Boca Raton, FL, 2006. [https://doi.org/10.1201/9781420044393]
  115. McPhedran, K. N., Seth, R., and Drouillard, K. G., Chemosphere 91, 1648-1652, 2013. <doi:10.1016/J.CHEMOSPHERE.2012.12.017>.
  116. Nielsen, F., Olsen, E., and Fredenslund, A,, Environ. Sci. Technol. 28, 2133-2138, 1994. <doi:10.1021/ES00061A022>.
  117. Oliver, B. G,, Chemosphere 14, 1087-1106, 1985. <doi:10.1016/0045-6535(85)90029-3>.
  118. Reichl, A., Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany, 1995.
  119. Riederer, M., Environ. Sci. Technol. 24, 829-837, 1990. <doi:10.1021/ES00076A006>.
  120. Ryu, S.-A. and Park, S.-J., Fluid Phase Equilib. 161, 295-304, 1999. <doi:10.1016/S0378-3812(99)00193-4>.
  121. Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L., Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, 2006. <http://jpldataeval.jpl.nasa.gov>.
  122. Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H., Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, CA, 2011. <http://jpldataeval.jpl.nasa.gov>.
  123. Staudinger, J. and Roberts, P. V., Crit. Rev. Environ. Sci. Technol. 26, 205-297, 1996. <doi:10.1080/10643389609388492>.
  124. Staudinger, J. and Roberts, P. V., Chemosphere, 44, 561-576, 2001. <doi:10.1016/S0045-6535(00)00505-1>.
  125. Warneck, P., Chemosphere 69, 347-361, 2007. <doi:10.1016/J.CHEMOSPHERE.2007.04.088>.
  126. Warneck, P. and Williams, J., The Atmospheric Chemist's Companion: Numerical Data for Use in the Atmospheric Sciences, Springer Verlag, Berlin, 2012. <doi:10.1007/978-94-007-2275-0>.
  127. Moore, R. M., Geen, C. E., and Tait, V. K., Chemosphere 30, 1183-1191, 1995. <doi:10.1016/0045-6535(95)00009-W>.
  128. Sander, R., Atmos. Chem. Phys. 15, 4399-4981, 2015. <doi:10.5194/acp-15-4399-2015>. [https://doi.org/10.5194/acp-15-4399-2015]
  129. Sander, R., Henry's Law Constants, <satellite.mpic.de/henry>.
  130. CompTox Chemicals Dashboard. Environmental Protection Agency.
  131. Danish Environmental Protection Agency. Short-chain Polyfluoroalkyl Substances (PFAS). A literature review of information on human health effects and environmental fate and effect aspects of short-chain PFAS. (Environmental project No. 1707, 2015)
Go to interactive table
Mobile-friendly table

Aqueous Solubility and Henry's Law Constants for Organic Compounds



NameMol. form.CAS Reg. No.Mol. wt.t/ºCs/mass%s/g kg-1 H2ORef.kH/kPa m3 mol-1Ref.
Continued on next page...
AcenaphtheneC12H1083-32-9154.20700.000150.00154
AcenaphtheneC12H1083-32-9154.207250.0003800.00380220.0143112
AcenaphtheneC12H1083-32-9154.207500.000920.00924
AcenaphthyleneC12H8208-96-8152.192200.00160.016280.010112
AcephateC4H10NO3PS30560-19-1183.16620≈28≈39040
AcetaldehydeC2H4O75-07-044.052501008.8130
AcetamideC2H5NO60-35-559.0672040.868910
AcetanilideC8H9NO103-84-4135.163200.525.227
AcetanilideC8H9NO103-84-4135.163702.72827
AcetazolamideC4H6N4O3S259-66-5222.246300.101.040
AcetohexamideC15H20N2O4S968-81-0324.396370.00130.01340
AcetonitrileC2H3N75-05-841.052-1031.746439
AcetonitrileC2H3N75-05-841.052-340.568139
AcetophenoneC8H8O98-86-2120.149200.676.7840.00091124
AcetophenoneC8H8O98-86-2120.149500.818.284
AcetophenoneC8H8O98-86-2120.149801.1611.784
AcetyleneC2H274-86-226.037250.1081.0819
2-(Acetyloxy)benzoic acidC9H8O450-78-2180.1580.252.527
2-(Acetyloxy)-5-bromobenzoic acidC9H7BrO41503-53-3259.0540.070.730

  • *Indicates a value of s for a gas at a partial pressure of 101.325 kPa (1 atm) in equilibrium with the solution.


Page 1 of 87
1/87

Entry Display
This is where the entry will be displayed

Other ChemNetBase Products

About

Log In - Individual User
You are not within the network of a subscribing institution.
Please sign in with an Individual User account to continue.
Note that Workspace accounts are not valid.

Confirm Log Out
Are you sure?
Log In to Your Workspace
Your personal workspace allows you to save and access your searches and bookmarks.
Username
Password
Remember Me
This will save a cookie on your browser


If you do not have a workspace Log In click here to create one.
Forgotten your workspace password? Click here for an e-mail reminder.
Log Out From Your Workspace
Are you sure?
Create your personal workspace
Title
First Name (Given)
Last Name (Family)
Email address
Username
Password
Confirm Password


Incorrect login details
You have entered your Workspace sign in credentials instead of Individual User sign in credentials.
You must be authenticated within your organisation's network IP range in order to access your Workspace account.
Click the help icon for more information on the differences between these two accounts.
Incorrect login details
You have entered your Individual User account sign in credentials instead of Workspace credentials.
While using this network, a personal workspace account can be created to save your bookmarks and search preferences for later use.
Click the help icon for more information on the differences between Individual User accounts and Workspace accounts.
My Account

Change Your Workspace Password
Username
Current Password
New Password
Confirm New Password


Update your Personal Workspace Details
Username
Title
First Name (Given)
Last Name (Family)
Email address


Workspace Log In Reminder
Please enter your username and/or your e-mail address:

Username
Email Address


Searching for Chemicals and Properties

The CRC Handbook of Chemistry and Physics (HBCP) contains over 700 tables in over 450 documents which may be divided into several pages, all categorised into 17 major subject areas. The search on this page works by searching the content of each page individually, much like any web search. This provides a challenge if you want to search for multiple terms and those terms exist on different pages, or if you use a synonym/abbreviation that does not exist in the document.

We use metadata to avoid some of these issues by including certain keywords invisibly behind each table. Whilst this approach works well in many situations, like any web search it relies in the terms you have entered existing in the document with the same spelling, abbreviation etc.

Since chemical compounds and their properties are immutable, a single centralised database has been created from all chemical compounds throughout HBCP. This database contains every chemical compound and over 20 of the most common physical properties collated from each of the >700 tables. What's more, the properties can be searched numerically, including range searching, and you can even search by drawing a chemical structure. A complete list of every document table in which the compound occurs is listed, and are hyperlinked to the relevant document table.

The 'Search Chemicals' page can be found by clicking the flask icon in the navigation bar at the top of this page. For more detailed information on how to use the chemical search, including adding properties, saving searches, exporting search results and more, click the help icon in to top right of this page, next to the welcome login message.

Below is an example of a chemical entry, showing its structure, physical properties and document tables in which it appears.

image of an example chemical entry
We use cookies to improve your website experience. To learn about our use of cookies and how you can manage your cookie settings, please see our Cookie Policy. By continuing to use the website, you consent to our use of cookies.
Cookie Policy

Cookie Policy

We have developed this cookie policy (the “Cookie Policy”) in order to explain how we use cookies and similar technologies (together, “Cookies”) on this website (the “Website”) and to demonstrate our firm commitment to the privacy of your personal information.

The first time that you visit our Website, we notify you about our use of Cookies through a notification banner. By continuing to use the Website, you consent to our use of Cookies as described in this Cookie Policy. However, you can choose whether or not to continue accepting Cookies at any later time. Information on how to manage Cookies is set out later in this Cookie Policy.

Please note that our use of any personal information we collect about you is subject to our Privacy Policy.

What are Cookies?

Cookies are small text files containing user IDs that are automatically placed on your computer or other device by when you visit a website. The Cookies are stored by the internet browser. The browser sends the Cookies back to the website on each subsequent visit, allowing the website to recognise your computer or device. This recognition enables the website provider to observe your activity on the website, deliver a personalised, responsive service and improve the website.

Cookies can be ‘Session Cookies’ or ‘Persistent Cookies’. Session Cookies allow a website to link a series of your actions during one browser session, for example to remember the items you have added to a shopping basket. Session Cookies expire after a browser session and are therefore not stored on your computer or device afterwards. Persistent Cookies are stored on your computer or device between browser sessions and can be used when you make subsequent visits to the website, for example to remember your website preferences, such as language or font size.

Cookies We Use and Their Purpose

We use three types of Cookies - ‘Strictly Necessary’ Cookies, ‘Performance’ Cookies and ‘Functionality’ Cookies. Each type of Cookie and the purposes for which we use them are described in this section. To learn about the specific Cookies we use, please see our List of Cookies.

1. Strictly Necessary Cookies

‘Strictly Necessary’ Cookies enable you to move around the Website and use essential features. For example, if you log into the Website, we use a Cookie to keep you logged in and allow you to access restricted areas, without you having to repeatedly enter your login details. If you are registering for or purchasing a product or service, we will use Cookies to remember your information and selections, as you move through the registration or purchase process.

Strictly Necessary Cookies are necessary for our Website to provide you with a full service. If you disable them, certain essential features of the Website will not be available to you and the performance of the Website will be impeded.

2. Performance Cookies

‘Performance’ Cookies collect information about how you use our Website, for example which pages you visit and if you experience any errors. These Cookies don’t collect any information that could identify you – all the information collected is anonymous. We may use these Cookies to help us understand how you use the Website and assess how well the Website performs and how it could be improved.

3. Functionality Cookies

‘Functionality’ Cookies enable a website to provide you with specific services or a customised experience. We may use these Cookies to provide you with services such as watching a video or adding user comments. We may also use such Cookies to remember changes you make to your settings or preferences (for example, changes to text size or your choice of language or region) or offer you time-saving or personalised features.

You can control whether or not Functionality Cookies are used, but disabling them may mean we are unable to provide you with some services or features of the Website.

First and Third Party Cookies

The Cookies placed on your computer or device include ‘First Party’ Cookies, meaning Cookies that are placed there by us, or by third party service providers acting on our behalf. Where such Cookies are being managed by third parties, we only allow the third parties to use the Cookies for our purposes, as described in this Cookie Policy, and not for their own purposes.

The Cookies placed on your computer or device may also include ‘Third Party’ Cookies, meaning Cookies that are placed there by third parties. These Cookies may include third party advertisers who display adverts on our Website and/or social network providers who provide ‘like’ or ‘share’ capabilities (see the above section on Targeting or Advertising Cookies). They may also include third parties who provide video content which is embedded on our Website (such as YouTube). Please see the website terms and policies of these third parties for further information on their use of Cookies.

To learn about the specific First Party and Third Party Cookies used by our, please see our List of Cookies.

Managing Cookies

You always have a choice over whether or not to accept Cookies. When you first visit the Website and we notify you about our use of Cookies, you can choose not to consent to such use. If you continue to use the Website, you are consenting to our use of Cookies for the time being. However, you can choose not to continue accepting Cookies at any later time. In this section, we describe ways to manage Cookies, including how to disable them.

You can manage Cookies through the settings of your internet browser. You can choose to block or restrict Cookies from being placed on your computer or device. You can also review periodically review the Cookies that have been placed there and disable some or all of them.

You can learn more about how to manage Cookies on the following websites: www.allaboutcookies.org and www.youronlinechoices.com.

Please be aware that if you choose not to accept certain Cookies, it may mean we are unable to provide you with some services or features of the Website.

Changes to Cookie Policy

In order to keep up with changing legislation and best practice, we may revise this Cookie Policy at any time without notice by posting a revised version on this Website. Please check back periodically so that you are aware of any changes.

Questions or Concerns

If you have any questions or concerns about this Cookie Policy or our use of Cookies on the Website, please contact us by email to [email protected]

You can also contact the Privacy Officer for the Informa PLC group at [email protected].


Our Cookies

Here is a list of cookies we have defined as 'Strictly Necessary':

Taylor and Francis 'First Party' Cookies

JSESSIONID

TandF.ACCT.CNB.cookieId

TandF.WS.CNB.cookieId

TandF.SU.CNB.cookieId

TandF.PORTAL.cookiesAgreed

TandF.LOGIN.cookiesAgreed

TandF.HBCP.cookiesAgreed

TandF.CCD.cookiesAgreed

TandF.DNP.cookiesAgreed

TandF.DOC.cookiesAgreed

TandF.DOD.cookiesAgreed

TandF.DIOC.cookiesAgreed

TandF.POLY.cookiesAgreed

TandF.DFC.cookiesAgreed

TandF.DMNP.cookiesAgreed

TandF.DCCC.cookiesAgreed

TandF.POC.cookiesAgreed

Here is a list of the cookies we have defined as 'Performance'.

'Third Party' Cookies

Google Analytics:

_ga

_gid

_gat

Accessibility

The Voluntary Product Accessibility Template (VPAT) is a self-assessment document which discloses how accessible Information and Communication Technology products are in accordance with global standards.

The VPAT disclosure templates do not guarantee product accessibility but provide transparency around the product(s) and enables direction when accessing accessibility requirements.

Taylor & Francis has chosen to complete the International version of VPAT which encompasses Section 508 (US), EN 301 549 (EU) and WCAG2.1 (Web Content Accessibility Guidelines) for its products.

Click here for more information about how to use this web application using the keyboard.


This is replaced with text from the script
This is replaced with text from the script
Top Notification Bar Dialog Header
Your Session is about to Expire!
Your session will expire in seconds

Please move your cursor to continue.