Section: 7 | Properties of Fatty Acid Methyl And Ethyl Esters Related to Biofuels |

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PROPERTIES OF FATTY ACID METHYL AND ETHYL ESTERS RELATED TO BIOFUELS

Robert D Chirico and Michael Frenkel

These tables provide critically evaluated properties and sources of experimental data for fatty acid methyl esters and ethyl esters found in biofuels. All listed property values are based on experimental results reported in Refs. 1 to 103. Critical evaluation was carried out dynamically with the NIST ThermoData Engine (TDE) software (Ref. 104). The software algorithms have been described in the literature (see Refs. 105 to 110).

Table 1 lists several important properties.Column definitions are as follows.

Column heading	Definition
Name	Common name of compound
Systematic name	IUPAC systematic chemical name
Mol. form.	Molecular formula of compound
Acid code	Shorthand acid code commonly used; the first number in this code gives the number of carbon atoms; the number following the colon is the number of unsaturated centers (mainly double bonds); the location and orientation of the unsaturated centers follow. The symbols used are: c = cis; t = trans; a = acetylenic center; e = ethylenic center at end of chain; ep = epoxy; thus 9c,11t indicates a double bond with cis orientation at the No. 9 carbon and another with trans orientation at the No. 11 carbon. Additional details on the codes can be found in Ref. 118.
mp	Normal melting point temperature, in °C
bp	Estimated normal boiling temperature, in °C
ρ²⁵	Density of the liquid phase at 25 °C near pressure p = 0.1 MPa, in kg m^–3
ρ⁵⁰	Density of the liquid phase at 50 °C near pressure p = 0.1 MPa, in kg m^-3
ρ_sat¹⁰⁰	Vapor pressure at 100 °C, in Pa
ρ_sat¹⁵⁰	Vapor pressure at 150 °C, in Pa
C_p²⁵	Heat capacity of the liquid phase at 25 °C near pressure p = 0.1 MPa, in J K^–1 mol^–1
C_p⁵⁰	Heat capacity of the liquid phase at 50 °C near pressure p = 0.1 MPa, in J K–1 mol–1
η²⁵	Viscosity of the liquid at 25 °C near pressure p = 0.1 MPa, in mPa s
η⁵⁰	Viscosity of the liquid at 50 °C near pressure p = 0.1 MPa, in mPa s

In some cases, property values for the liquid cannot be evaluated at 25 °C because the compound is solid at this temperature. In such cases, values are given at 40 °C, as indicated with a superscript “40.” All normal boiling temperatures are estimates based on extrapolation of vapor pressures measured at lower temperatures. Digits in parentheses following a property value give the uncertainty in the last digit(s) of the value; these are the estimated expanded uncertainties (0.95 level of confidence; see Refs. 111 to 113) for the property values. A discussion of uncertainty terminology with particular application to thermodynamic and transport properties is given in Ref. 114.

Compounds are listed in order of the acid code. This is a common shorthand in which the first number represents the number of carbon atoms in the parent fatty acid, and the second number indicates the number of double bonds present. See the table "Properties of Fatty Acids and Their Methyl Esters" for further details on the acid code.

Table 2 provides up to five data sources reporting experimental measurements of the indicated property. Generally, these are the most important sources that were used in the critical evaluation process. The numbers correspond to those in the reference list.

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TABLE 1. Properties of Methyl and Ethyl Esters of Fatty Acids

Name	Systematic name	Mol. form.	Acid code	CAS Reg. No.	mp/°C	bp/°C	ρ²⁵/kg m⁻³	ρ⁵⁰/kg m⁻³	p_sat¹⁰⁰/Pa	p_sat¹⁵⁰/Pa	C_p²⁵/J mol⁻¹ K⁻¹	C_p⁵⁰/J mol⁻¹ K⁻¹	η²⁵/mPa s	η⁵⁰/mPa s
Continued on next page...
*Methyl Esters*
Methyl laurate	Methyl dodecanoate	C₁₃H₂₆O₂	12:0	111-82-0	5.1(2)	268(2)	865.4(5)	845.6(6)	218(6)	2660(50)	437(2)	451(2)	2.80(5)	1.71(4)
Methyl myristate	Methyl tetradecanoate	C₁₅H₃₀O₂	14:0	124-10-7	19.0(5)	295(10)	863.2(10)	844.1(6)	53.8(3)	850(60)	501(3)	511(2)	4.07(8)	2.35(5)
Methyl palmitate	Methyl hexadecanoate	C₁₇H₃₄O₂	16:0	112-39-0	29.6(5)	324(6)	851(3)⁴⁰	842(2)	12.2(10)	270(11)	572(3)⁴⁰	578(3)	3.75(10)⁴⁰	3.04(10)
Methyl palmitoleate	Methyl cis-9-hexadecenoate	C₁₇H₃₂O₂	16:1	1120-25-8	-33.7(6)	325	865.1(7)	846.1(6)	9.9(13)	242(32)			3.75(10)	2.2(1)
Methyl stearate	Methyl octadecanoate	C₁₉H₃₈O₂	18:0	112-61-8	38.7(6)	353(8)	849.7(10)⁴⁰	842.5(8)	2.7(3)	84(4)	633(5)⁴⁰	641(4)	5.0(1)⁴⁰	4.0(1)
Methyl oleate	Methyl cis-9-octadecenoate	C₁₉H₃₆O₂	18:1	112-62-9	-19.7(5)	347(5)	871.1(6)	853.2(6)	3.3(3)	102(3)			5.6(1)	3.1(1)
Methyl linoleate	Methyl cis,cis-9,12-octadecadienoate	C₁₉H₃₄O₂	18:2	112-63-0	-36.6(5)	347(5)	883.4(6)	865.1(6)	3.7(2)	106(2)			4.4(1)	2.7(1)
Methyl linolenate	Methyl cis,cis,cis-9,12,15-octadecatrienoate	C₁₉H₃₂O₂	18:3	301-00-8	-49(4)	348(8)	895.1(15)	877.1(15)	3.4(3)	100(3)			3.9(1)	2.5(1)
Methyl arachidate	Methyl eicosanoate	C₂₁H₄₂O₂	20:0	1120-28-1	46.4(3)	371(15)	848.7(10)⁴⁰	841.9(10)	0.7(2)	32(7)	700(7)⁴⁰	708(6)	6.1(2)⁴⁰	4.8(1)
Methyl gondoate	Methyl cis-11-eicosenoate	C₂₁H₄₀O₂	20:1	2390-09-2	-34(2)	378	870.2(15)	852.3(15)	0.7(2)	31(5)			7.4(1)	4.1(1)
Methyl behenate	Methyl docosanoate	C₂₃H₄₆O₂	22:0	929-77-1	53.3(4)	402(16)	844.4(10)⁴⁰	838.5(10)	0.3(3)	1.3(6)			7.8(14)⁴⁰	6.0(5)
Methyl erucate	Methyl cis-13-docosenoate	C₂₃H₄₄O₂	22:1	1120-34-9	-1.1(5)	400(9)	867.1(7)	849.3(6)	0.2(1)	1.1(2)			9.1(1)	4.8(1)
*Ethyl Esters*
Ethyl laurate	Ethyl dodecanoate	C₁₄H₂₈O₂	12:0	106-33-2	-1.8(4)	276(3)	858.1(6)	839.2(7)	132(8)	1782(40)			3.01(5)	1.85(4)
Ethyl myristate	Ethyl tetradecanoate	C₁₆H₃₂O₂	14:0	124-06-1	12.3(8)	308(3)	857.1(6)	838.0(5)	32(2)	572(15)			4.2(1)	2.46(5)
Ethyl palmitate	Ethyl hexadecanoate	C₁₈H₃₆O₂	16:0	628-97-7	24.2(4)	334(7)	857.2(7)	838.4(4)	5.4(3)	157(30)			5.7(1)	3.20(7)
Ethyl palmitoleate	Ethyl cis-9-hexadecenoate	C₁₈H₃₄O₂	16:1	56219-10-4	-36(1)								4.5(10)	2.8(10)
Ethyl stearate	Ethyl octadecanoate	C₂₀H₄₀O₂	18:0	111-61-5	33.1(7)	356(6)	844.1(9)⁴⁰	837.2(8)	2.2(3)	65(6)	667(3)	683(2)	7.5(1)	4.05(10)
Ethyl oleate	Ethyl cis-9-octadecenoate	C₂₀H₃₈O₂	18:1	111-62-6	-21(2)	357(9)	865.9(8)	847.6(8)	2.5(2)	78(25)			5.8(1)	3.31(8)
Ethyl linoleate	Ethyl cis,cis-9,12-octadecadienoate	C₂₀H₃₆O₂	18:2	544-35-4	-55(5)	351(10)	877.0(15)	861.1(15)	1.9(15)	64(30)			4.8(1)	2.9(1)

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