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Section: 6 | Critical Constants of Organic Compounds |
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John R. Rumble, ed., CRC Handbook of Chemistry and Physics, 103rd Edition (Internet Version 2022), CRC Press/Taylor & Francis, Boca Raton, FL.
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CRITICAL CONSTANTS OF ORGANIC COMPOUNDS

Chris D. Muzny, Vladimir Diky, Andrei Kazakov, Robert D. Chirico, and Michael Frenkel

The parameters of the liquid-gas critical point are important constants in determining the behavior of fluids. This table lists the critical temperature, pressure, and molar volume, as well as the normal boiling point, for over 850 organic substances. Column definitions for the table are as follows.

Column heading Definition
Name Name of organic compound; compounds are listed alphabetically by name
Mol. form. Molecular formula of compound
Tbp Normal boiling point in K at a pressure of 101.325 kPa (1 atmosphere); “sp” following the value indicates a sublimation point (temperature at which the solid is in equilibrium with the gas at a pressure of 101.325 kPa)
Tc Critical temperature, in K
Pc Critical pressure, in MPa
Vc Critical molar volume, in units cm3 mol–1
Ref. Reference number; see text

The listed values of the critical constants are critically evaluated using the NIST ThermoData Engine, TDE (Ref. 1), designed to implement the dynamic data evaluation concept (Refs. 2–5). This concept requires large electronic databases capable of storing essentially all relevant experimental data known to date with detailed descriptions of metadata and uncertainties. The combination of these electronic databases with expert-system software, designed to automatically generate recommended property values based on available experimental and predicted data, leads to the ability to produce critically evaluated data dynamically or “to order.” The evaluated data have been generated only for compounds for which experimental data for critical properties are available. Group contribution methods such as Joback-Reid (Ref. 6), Constantinou-Gani (Ref. 7), Marrero-Pardillo (Ref. 8), and Wilson-Jasperson (Ref. 9) as well as quantitative structure-property relationship (QSPR) methods (Ref. 5) were used within the TDE environment to validate available experimental data. Each recommended value in the table is characterized with a combined expanded uncertainty (Ref. 10) (level of confidence, approximately 95%) listed in parentheses. Only references to original experimental data actually used by TDE to generate critically evaluated data are indicated for each compound.

The values of the normal boiling temperatures provided in the table along with the combined expanded uncertainties listed in parentheses have also been critically evaluated using TDE. Additional details on the determination of the normal boiling temperatures using TDE can be found in the “Physical Constants of Organic Compounds” table in Section 3. The remaining values of the normal boiling temperatures (without uncertainties) are taken from the same table.

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Critical Constants of Organic Compounds



NameSynonymMol. form.CAS Reg. No.Mol. wt.Tbp/KTc/KPc/MPaVc/cm3 mol-1Ref. (see text)
Continued on next page...
AcetaldehydeEthanalC2H4O75-07-044.052294.0(6)462(8)7.5(10)154(5)11-13
Acetic acidEthanoic acidC2H4O264-19-760.052391.1(2)593(2)5.79(3)171(2)14-21
Acetic anhydrideAcetyl acetateC4H6O3108-24-7102.089412.7(3)606(1)4.00(8)294(12)22
Acetone2-PropanoneC3H6O67-64-158.079329.23(7)508.1(2)4.7(1)221(20)18, 23-31
AcetonitrileMethyl cyanideC2H3N75-05-841.052354.8(2)545.47(7)4.88(5)173(59)32-40
AcetophenoneMethyl phenyl ketoneC8H8O98-86-2120.149475.3(2)709.5(7)4.01(5)373(40)11, 41
AcetyleneEthyneC2H274-86-226.037188.5 sp308.4(4)6.24(4)119(11)42-48
AcrylonitrilePropenenitrileC3H3N107-13-153.063350.4(2)540(2)4.6(1)211(10)49
AlleneC3H4463-49-040.064238.4(3)394(4)6.5(7)167(8)50
Allyl alcohol2-Propen-1-olC3H6O107-18-658.079370.1(5)539.8(6)5.76(4)222(9)51
Allylamine2-Propen-1-amineC3H7N107-11-957.095327(2)540.0(7)4.83(3)217(11)52
Allyl ethyl etherC5H10O557-31-386.132338(4)518(10)320(10)21
2-AminobiphenylC12H11N90-41-5169.222571.5(2)838(2)3.52(3)548(99)53
2-(2-Aminoethoxy)ethanolDiglycolamineC4H11NO2929-06-6105.136496.3(1)721(4)4.88(10)333(19)54
N-(2-Aminoethyl)ethanolamineC4H12N2O111-41-1104.150515(5)739(2)4.53(9)340(17)55
AnilineBenzenamineC6H7N62-53-393.127457.3(4)704(7)5.3(1)291(3)39, 40, 58-60
AnisoleMethoxybenzeneC7H8O100-66-3108.138426.8(2)646.1(2)4.2(1)355(12)25, 39, 40, 49
Benzene[6]AnnuleneC6H671-43-278.112353.23(7)562.0(1)4.90(2)257(11)19, 27, 28, 34, 61-97
Benzeneacetic acidPhenylacetic acidC8H8O2103-82-2136.149541(2)766(8)3.9(3)372(16)98


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