Chemical Properties of Hexanoic acid, methyl ester (CAS 106-70-7)

InChI

InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

InChI Key

NUKZAGXMHTUAFE-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCCCCC(=O)OC

Molecular Weight¹

130.18

CAS

106-70-7

Other Names

• Methyl capronate
• Methyl ester of hexanoic acid
• Methyl hexoate
• Methyl hexylate
• Methyl n-hexanoate
• Methyl n-hexoate
• NSC 5023
• caproic acid, methyl ester
• methyl caproate
• methyl hexanoate
• n-Caproic acid methyl ester

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.4448		ChemSep v8.3 pure component data Compiled value
ΔcH°liquid	[-4215.00; -4184.00]	kJ/mol
ΔcH°liquid	-4184.00 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-4215.00 ± 0.60	kJ/mol	NIST
ΔfG°	-302.31	kJ/mol	Joback Calculated Property
ΔfH°gas	[-505.09; -494.00]	kJ/mol
ΔfH°gas	-505.09	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-494.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-540.20 ± 1.00	kJ/mol	NIST
ΔfusH°	18.25	kJ/mol	Joback Calculated Property
ΔvapH°	[46.00; 48.70]	kJ/mol
ΔvapH°	48.40 ± 0.20	kJ/mol	NIST
ΔvapH°	47.70 ± 0.10	kJ/mol	NIST
ΔvapH°	47.90	kJ/mol	NIST
ΔvapH°	48.20	kJ/mol	NIST
ΔvapH°	47.80 ± 0.50	kJ/mol	NIST
ΔvapH°	48.70 ± 0.30	kJ/mol	NIST
ΔvapH°	48.04 ± 0.12	kJ/mol	NIST
ΔvapH°	48.00 ± 0.10	kJ/mol	NIST
ΔvapH°	Outlier 46.00 ± 1.00	kJ/mol	NIST
ΔvapH°	46.20	kJ/mol	NIST
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	[-2.00; -1.87]
log10WS	-2.00		Aq. Solubility Prediction
log10WS	-1.87		Estimated Solubility
logPoct/wat	1.740		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	2867.44	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[142.00; 938.00]
Inp	907.00		NIST
Inp	907.00		NIST
Inp	908.30		NIST
Inp	923.40		NIST
Inp	922.60		NIST
Inp	921.80		NIST
Inp	908.00		NIST
Inp	904.00		NIST
Inp	905.00		NIST
Inp	913.00		NIST
Inp	902.00		NIST
Inp	902.00		NIST
Inp	913.00		NIST
Inp	910.00		NIST
Inp	906.00		NIST
Inp	911.00		NIST
Inp	909.00		NIST
Inp	909.00		NIST
Inp	910.00		NIST
Inp	905.00		NIST
Inp	913.00		NIST
Inp	905.00		NIST
Inp	907.00		NIST
Inp	931.00		NIST
Inp	910.00		NIST
Inp	915.00		NIST
Inp	902.00		NIST
Inp	925.00		NIST
Inp	915.00		NIST
Inp	936.00		NIST
Inp	924.00		NIST
Inp	938.00		NIST
Inp	911.00		NIST
Inp	925.00		NIST
Inp	903.00		NIST
Inp	923.00		NIST
Inp	926.00		NIST
Inp	933.00		NIST
Inp	904.00		NIST
Inp	934.00		NIST
Inp	905.00		NIST
Inp	904.00		NIST
Inp	904.00		NIST
Inp	904.00		NIST
Inp	908.50		NIST
Inp	907.40		NIST
Inp	908.00		NIST
Inp	908.00		NIST
Inp	906.00		NIST
Inp	909.00		NIST
Inp	927.00		NIST
Inp	910.00		NIST
Inp	907.00		NIST
Inp	922.50		NIST
Inp	931.40		NIST
Inp	914.00		NIST
Inp	932.00		NIST
Inp	924.00		NIST
Inp	931.00		NIST
Inp	925.00		NIST
Inp	918.00		NIST
Inp	916.00		NIST
Inp	922.00		NIST
Inp	905.00		NIST
Inp	905.00		NIST
Inp	907.00		NIST
Inp	925.00		NIST
Inp	907.00		NIST
Inp	916.00		NIST
Inp	919.00		NIST
Inp	927.00		NIST
Inp	930.00		NIST
Inp	929.00		NIST
Inp	924.00		NIST
Inp	924.00		NIST
Inp	928.00		NIST
Inp	925.00		NIST
Inp	924.00		NIST
Inp	923.20		NIST
Inp	927.00		NIST
Inp	915.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Inp	909.00		NIST
Inp	927.00		NIST
Inp	927.00		NIST
Inp	906.00		NIST
Inp	905.00		NIST
Inp	910.00		NIST
Inp	906.00		NIST
Inp	906.00		NIST
Inp	907.00		NIST
Inp	907.00		NIST
Inp	906.00		NIST
Inp	910.00		NIST
Inp	914.00		NIST
Inp	906.00		NIST
Inp	907.00		NIST
Inp	907.00		NIST
Inp	905.00		NIST
Inp	906.00		NIST
Inp	921.00		NIST
Inp	906.00		NIST
Inp	923.00		NIST
Inp	927.00		NIST
Inp	911.00		NIST
Inp	924.00		NIST
Inp	929.00		NIST
Inp	911.00		NIST
Inp	927.00		NIST
Inp	936.00		NIST
Inp	925.00		NIST
Inp	924.00		NIST
Inp	922.00		NIST
Inp	906.00		NIST
Inp	931.00		NIST
Inp	906.00		NIST
Inp	902.00		NIST
Inp	922.00		NIST
Inp	926.00		NIST
Inp	926.00		NIST
Inp	906.00		NIST
Inp	911.00		NIST
Inp	934.00		NIST
Inp	934.00		NIST
Inp	934.00		NIST
Inp	934.00		NIST
Inp	906.00		NIST
Inp	907.00		NIST
Inp	902.00		NIST
Inp	914.00		NIST
Inp	904.00		NIST
Inp	906.00		NIST
Inp	905.00		NIST
Inp	906.00		NIST
Inp	906.00		NIST
Inp	Outlier 142.00		NIST
Inp	Outlier 148.05		NIST
Inp	919.00		NIST
Inp	924.00		NIST
Inp	927.00		NIST
Inp	906.00		NIST
Inp	910.00		NIST
Inp	905.00		NIST
Inp	923.00		NIST
Inp	911.00		NIST
Inp	922.00		NIST
Inp	934.00		NIST
Inp	907.00		NIST
Ip	[1142.00; 1208.00]
Ip	1183.00		NIST
Ip	1177.00		NIST
Ip	1184.00		NIST
Ip	1177.00		NIST
Ip	1188.00		NIST
Ip	1184.00		NIST
Ip	1190.00		NIST
Ip	1182.00		NIST
Ip	1180.00		NIST
Ip	1180.00		NIST
Ip	1176.00		NIST
Ip	1186.00		NIST
Ip	1176.00		NIST
Ip	1173.00		NIST
Ip	1175.00		NIST
Ip	1173.00		NIST
Ip	1175.00		NIST
Ip	1189.00		NIST
Ip	1197.00		NIST
Ip	1181.00		NIST
Ip	1187.00		NIST
Ip	1183.00		NIST
Ip	1172.00		NIST
Ip	1177.00		NIST
Ip	1184.00		NIST
Ip	1183.00		NIST
Ip	1190.00		NIST
Ip	1171.00		NIST
Ip	1189.00		NIST
Ip	Outlier 1208.00		NIST
Ip	1204.00		NIST
Ip	1202.00		NIST
Ip	1194.00		NIST
Ip	1197.00		NIST
Ip	1185.00		NIST
Ip	1172.00		NIST
Ip	1197.00		NIST
Ip	1184.00		NIST
Ip	1191.00		NIST
Ip	1178.00		NIST
Ip	1178.00		NIST
Ip	1191.00		NIST
Ip	Outlier 1142.00		NIST
Ip	Outlier 1154.00		NIST
Ip	1193.00		NIST
Ip	1182.00		NIST
Ip	1184.00		NIST
Ip	1186.00		NIST
Ip	1185.00		NIST
Ip	1184.00		NIST
Ip	1202.00		NIST
Ip	1192.00		NIST
Ip	1174.00		NIST
Ip	1188.00		NIST
Ip	1185.00		NIST
Ip	1177.00		NIST
Ip	1200.00		NIST
Ip	1180.00		NIST
Ip	1187.00		NIST
Ip	Outlier 1208.00		NIST
Ip	1172.00		NIST
Ip	1192.00		NIST
Ip	1197.00		NIST
Ip	1177.00		NIST
Ip	1188.00		NIST
Ip	1197.00		NIST
Ip	1177.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1200.00		NIST
Ip	1183.00		NIST
Ip	Outlier 1208.00		NIST
Ip	1188.00		NIST
Ip	1200.00		NIST
Ip	1172.00		NIST
Ip	1178.00		NIST
Ip	1182.00		NIST
Ip	1202.00		NIST
Ip	1177.00		NIST
Tboil	[422.20; 424.30]	K
Tboil	423.00	K	ChemSep v8.3 pure component data Compiled value
Tboil	424.20	K	NIST
Tboil	422.40 ± 1.00	K	NIST
Tboil	422.20 ± 2.50	K	NIST
Tboil	423.15 ± 1.50	K	NIST
Tboil	424.30 ± 0.20	K	NIST
Tboil	423.00 ± 2.00	K	NIST
Tboil	422.80 ± 1.50	K	NIST
Tboil	423.00 ± 5.00	K	NIST
Tc	605.12	K	ChemSep v8.3 pure component data Compiled value
Tfus	[202.15; 203.60]	K
Tfus	202.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	203.60	K	ChemSep v8.3 pure component data Compiled value
Tfus	203.60 ± 0.05	K	NIST
Tfus	202.20 ± 0.50	K	NIST
UQi	4.74		ChemSep v8.3 pure component data Compiled value
URi	5.50		ChemSep v8.3 pure component data Compiled value
Vc	0.453	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2579660		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[246.40; 269.60]	J/mol×K	[303.15; 373.15]
Cp,liquid	246.40	J/mol×K	303.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	248.80	J/mol×K	313.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	251.50	J/mol×K	323.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	254.60	J/mol×K	333.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	257.90	J/mol×K	343.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	261.50	J/mol×K	353.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	265.50	J/mol×K	363.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
Cp,liquid	269.60	J/mol×K	373.15	Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
ΔvapH	[45.20; 46.40]	kJ/mol	[325.00; 350.00]
ΔvapH	46.40 ± 0.10	kJ/mol	325.00	NIST
ΔvapH	45.30	kJ/mol	349.00	NIST
ΔvapH	45.20	kJ/mol	350.00	NIST
Pvap	[0.03; 96.03]	kPa	[262.64; 422.29]
Pvap	0.03	kPa	262.64	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	0.08	kPa	272.74	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	0.14	kPa	280.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.16	kPa	282.84	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	0.17	kPa	283.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.18	kPa	284.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.21	kPa	286.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.22	kPa	287.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.26	kPa	289.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.28	kPa	290.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.27	kPa	290.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.31	kPa	292.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.34	kPa	292.87	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	0.34	kPa	293.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.35	kPa	293.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.34	kPa	293.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.39	kPa	295.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.42	kPa	296.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.46	kPa	298.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.47	kPa	298.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.54	kPa	300.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.65	kPa	303.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.73	kPa	304.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.89	kPa	307.63	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	0.90	kPa	307.90	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	0.89	kPa	308.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.92	kPa	309.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.15	kPa	312.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.05	kPa	312.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.46	kPa	316.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.60	kPa	317.65	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	1.76	kPa	320.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.22	kPa	324.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.68	kPa	328.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	3.18	kPa	331.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	3.53	kPa	332.72	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	7.13	kPa	347.57	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	13.06	kPa	362.19	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	23.11	kPa	377.31	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	38.94	kPa	392.48	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	62.31	kPa	407.40	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Pvap	96.03	kPa	422.29	Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
n0	[1.37490; 1.41212]		[278.15; 358.15]
n0	1.41212		278.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40984		283.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40757		288.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40529		293.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40480		298.15	Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Acetonitrile (2) Systems at 93.32 kPa
n0	1.40300		298.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40480		298.15	Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa
n0	1.40070		303.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39841		308.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39610		313.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39373		318.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39136		323.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38902		328.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38667		333.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38432		338.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38169		343.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.37961		348.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.37725		353.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.37490		358.15	Thermophysical properties of fatty acid methyl and ethyl esters
ρl	879.76	kg/m3	298.15	Densities and interfacial tensions for fatty acid methyl esters (from methyl formate to methyl heptanoate) + water demixed mixtures at atmospheric pressure conditions
λliquid	[0.12; 0.15]	W/m×K	[263.83; 368.50]
λliquid	0.15	W/m×K	263.83	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.15	W/m×K	268.65	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	273.70	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	278.59	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	283.75	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	288.67	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	293.64	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	298.72	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.14	W/m×K	303.63	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	308.61	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	313.60	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	321.08	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	328.54	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	333.52	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	338.55	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.13	W/m×K	343.49	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	348.48	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	353.70	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	358.38	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	363.41	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
λliquid	0.12	W/m×K	368.50	Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	325.20	K	2.00	NIST

Datasets

1. Viscosity, Pa*s (1)
2. Mass density, kg/m3 (1)
3. Speed of sound, m/s (1)

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
294.86	105.00	0.0009
294.75	5079.00	0.0009
294.63	9980.00	0.0010
294.34	15024.00	0.0010
293.98	19999.00	0.0011
293.48	25055.00	0.0011
292.99	29973.00	0.0012
303.12	107.00	0.0008
303.09	5026.00	0.0008
303.05	10031.00	0.0009
303.01	15014.00	0.0009
302.98	19967.00	0.0009
302.89	24988.00	0.0010
302.79	29963.00	0.0010
312.74	103.00	0.0007
312.70	4988.00	0.0007
312.71	10033.00	0.0008
312.69	15010.00	0.0008
312.69	20046.00	0.0008
312.62	24986.00	0.0008
312.57	29951.00	0.0009
322.29	98.00	0.0006
322.29	5048.00	0.0006
322.08	9972.00	0.0007
322.32	15008.00	0.0007
322.12	19979.00	0.0007
322.14	24972.00	0.0008
321.96	29975.00	0.0008
331.89	9984.00	0.0006
331.83	14994.00	0.0006
331.93	20001.00	0.0007
331.80	25008.00	0.0007
331.74	30010.00	0.0007
341.39	20015.00	0.0006
341.41	25042.00	0.0006
341.38	29965.00	0.0006
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	884.48
293.15	1000.00	884.65
293.15	3000.00	886.42
293.15	5000.00	887.67
293.15	10000.00	891.64
293.15	15000.00	895.33
293.15	20000.00	898.81
293.15	25000.00	902.28
293.15	30000.00	905.55
293.15	35000.00	908.69
293.15	40000.00	911.73
293.15	50000.00	917.83
293.15	60000.00	923.06
303.15	100.00	874.56
303.15	1000.00	875.42
303.15	3000.00	877.13
303.15	5000.00	878.76
303.15	10000.00	882.75
303.15	15000.00	886.63
303.15	20000.00	890.21
303.15	25000.00	893.78
303.15	30000.00	897.24
303.15	35000.00	900.52
303.15	40000.00	903.67
303.15	50000.00	909.79
303.15	60000.00	915.57
313.15	100.00	865.26
313.15	1000.00	865.64
313.15	3000.00	867.5
313.15	5000.00	869.26
313.15	10000.00	873.55
313.15	15000.00	877.59
313.15	20000.00	881.48
313.15	25000.00	885.29
313.15	30000.00	888.86
313.15	35000.00	892.33
313.15	40000.00	895.54
313.15	50000.00	901.99
313.15	60000.00	907.83
323.15	100.00	855.18
323.15	1000.00	856.16
323.15	3000.00	858.01
323.15	5000.00	859.89
323.15	10000.00	864.44
323.15	15000.00	868.76
323.15	20000.00	872.98
323.15	25000.00	876.76
323.15	30000.00	880.55
323.15	35000.00	884.15
323.15	40000.00	887.68
323.15	50000.00	894.33
323.15	60000.00	900.65
333.15	100.00	845.43
333.15	1000.00	846.26
333.15	3000.00	848.43
333.15	5000.00	850.38
333.15	10000.00	855.15
333.15	15000.00	859.63
333.15	20000.00	864.0
333.15	25000.00	868.18
333.15	30000.00	871.99
333.15	35000.00	875.8
333.15	40000.00	879.63
333.15	50000.00	886.48
333.15	60000.00	892.97
343.15	100.00	835.2
343.15	1000.00	836.39
343.15	3000.00	838.54
343.15	5000.00	840.78
343.15	10000.00	845.7
343.15	15000.00	850.49
343.15	20000.00	855.28
343.15	25000.00	859.46
343.15	30000.00	863.7
343.15	35000.00	867.75
343.15	40000.00	871.46
343.15	50000.00	878.77
343.15	60000.00	885.3
353.15	100.00	825.57
353.15	1000.00	826.5
353.15	3000.00	828.96
353.15	5000.00	831.13
353.15	10000.00	836.55
353.15	15000.00	841.75
353.15	20000.00	846.44
353.15	25000.00	851.08
353.15	30000.00	855.46
353.15	35000.00	859.68
353.15	40000.00	863.59
353.15	50000.00	871.08
353.15	60000.00	878.16
363.15	100.00	815.64
363.15	1000.00	816.87
363.15	3000.00	819.47
363.15	5000.00	821.87
363.15	10000.00	827.32
363.15	15000.00	833.11
363.15	20000.00	837.93
363.15	25000.00	842.64
363.15	30000.00	847.27
363.15	35000.00	851.7
363.15	40000.00	856.02
363.15	50000.00	863.88
363.15	60000.00	871.24
Reference

Speed of sound, m/s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Speed of sound, m/s - Liquid
297.83	110.00	1225.1
306.48	110.00	1182.9
317.92	100.00	1137.0
327.21	110.00	1090.2
336.91	100.00	1055.2
346.90	100.00	1021.1
357.28	100.00	970.4
367.48	100.00	938.2
377.88	110.00	903.5
387.73	100.00	866.5
398.60	90.00	827.8
407.93	100.00	799.0
417.52	110.00	764.3
298.76	1010.00	1231.7
308.59	1010.00	1186.9
318.30	1000.00	1142.6
327.58	1010.00	1097.9
337.95	1000.00	1065.3
346.56	1010.00	1029.7
357.85	1010.00	989.8
367.24	1010.00	947.2
377.91	1010.00	910.8
387.01	1010.00	874.2
397.64	1010.00	842.1
406.65	1010.00	810.8
417.08	1010.00	775.9
427.06	1000.00	746.0
436.99	1010.00	714.9
447.88	1000.00	672.6
457.84	990.00	642.8
466.46	1010.00	613.5
478.01	1010.00	570.1
417.21	5010.00	808.2
427.25	5000.00	786.5
437.07	5000.00	751.6
447.00	4990.00	723.0
456.84	5000.00	695.3
466.28	5000.00	663.1
478.34	5010.00	623.4
487.67	5000.00	595.0
497.36	5000.00	568.5
507.11	5010.00	535.1
517.60	5010.00	504.9
528.29	5000.00	472.6
538.26	5010.00	439.9
547.96	5000.00	406.1
558.34	5000.00	378.3
567.58	5000.00	346.5
575.39	5000.00	317.9
586.99	5010.00	275.0
298.35	7010.00	1261.9
308.90	7000.00	1221.1
317.60	7010.00	1175.8
327.38	7010.00	1130.2
337.21	7010.00	1102.7
347.43	7000.00	1067.3
357.33	7010.00	1033.1
367.18	7000.00	989.6
377.97	7000.00	961.0
387.07	7000.00	922.0
397.54	7020.00	891.4
406.79	7020.00	857.7
416.99	7010.00	835.1
427.33	7000.00	805.5
487.58	1000.00	535.4
497.17	1010.00	499.6
506.88	1000.00	464.6
516.99	1010.00	426.2
298.85	3000.00	1240.3
309.19	3010.00	1197.6
319.17	3010.00	1152.2
327.90	3000.00	1107.9
337.97	3000.00	1078.0
347.71	3010.00	1040.3
356.24	3010.00	1011.9
366.38	3010.00	970.6
377.25	3000.00	927.9
386.63	3000.00	894.6
396.70	3000.00	862.0
406.78	3010.00	828.8
417.12	3000.00	796.9
427.25	3000.00	770.6
439.30	3000.00	727.5
446.68	3010.00	706.2
456.61	3000.00	673.8
466.22	3010.00	642.9
478.43	3010.00	596.3
487.67	3010.00	565.4
497.43	3010.00	534.1
506.49	3000.00	503.9
517.56	3000.00	468.7
529.52	3000.00	426.0
538.04	3000.00	396.8
547.56	3000.00	362.7
557.68	3000.00	321.9
566.56	3010.00	285.3
576.45	3010.00	241.0
437.97	6990.00	771.5
447.38	7000.00	744.5
457.10	7010.00	715.1
466.30	7000.00	689.7
478.28	7000.00	646.3
487.69	7000.00	617.0
497.38	7000.00	591.6
506.97	7010.00	563.3
517.52	7010.00	531.6
528.46	7000.00	504.0
538.26	7000.00	472.1
548.26	7000.00	446.0
557.89	7010.00	423.0
567.72	7010.00	390.1
576.35	7000.00	365.2
587.76	7000.00	334.6
298.17	10000.00	1274.4
308.58	10010.00	1227.8
317.52	10010.00	1181.0
327.40	10010.00	1143.2
337.71	10010.00	1111.9
346.92	10020.00	1081.3
356.68	10010.00	1048.7
366.89	10000.00	1005.5
377.70	10000.00	974.3
386.85	10000.00	945.8
397.25	10010.00	909.9
406.89	10000.00	885.7
417.21	10020.00	864.4
427.38	10010.00	833.5
438.10	9980.00	802.1
447.21	10010.00	776.0
456.81	9990.00	747.0
586.48	3000.00	197.5
298.56	5000.00	1252.4
309.13	5010.00	1210.5
318.41	5010.00	1160.9
327.64	5010.00	1120.6
337.21	5000.00	1091.3
347.75	5010.00	1054.8
357.35	5000.00	1022.1
366.68	5000.00	980.4
377.72	5000.00	939.5
387.29	5000.00	908.4
397.83	5000.00	875.5
406.99	5010.00	841.7
466.30	10010.00	720.4
478.28	10000.00	677.8
487.71	10000.00	653.5
497.44	10000.00	629.4
507.02	10020.00	599.2
517.63	10010.00	571.0
528.65	10010.00	547.3
538.35	10000.00	516.1
548.18	9980.00	498.8
558.07	10000.00	472.6
565.69	10010.00	446.4
577.04	10010.00	420.8
588.07	10030.00	393.2
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.83; 437.04]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.21092e+01
Coefficient B			-5.00000e+02
Coefficient C			6.20525e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	151.83	J/mol×K	255.00	Calculated Property
Cp,gas	221.05	J/mol×K	393.33	Calculated Property
Cp,gas	275.52	J/mol×K	531.67	Calculated Property
Cp,gas	316.97	J/mol×K	670.00	Calculated Property
Cp,gas	348.96	J/mol×K	808.33	Calculated Property
Cp,gas	374.21	J/mol×K	946.67	Calculated Property
Cp,gas	394.55	J/mol×K	1085.00	Calculated Property
Cp,gas	411.27	J/mol×K	1223.33	Calculated Property
Cp,gas	425.22	J/mol×K	1361.67	Calculated Property
Cp,gas	437.04	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079598; 0.0002426]	Pa×s	[202.89; 423.58]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15330e+01
Coefficient B			1.35928e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			202.89
Temperature range, max.			423.58
η	0.0079598	Pa×s	202.89	Calculated Property
η	0.0038650	Pa×s	227.41	Calculated Property
η	0.0021601	Pa×s	251.93	Calculated Property
η	0.0013386	Pa×s	276.45	Calculated Property
η	0.0008967	Pa×s	300.97	Calculated Property
η	0.0006381	Pa×s	325.50	Calculated Property
η	0.0004763	Pa×s	350.02	Calculated Property
η	0.0003693	Pa×s	374.54	Calculated Property
η	0.0002955	Pa×s	399.06	Calculated Property
η	0.0002426	Pa×s	423.58	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[315.12; 449.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49142e+01
Coefficient B			-3.75133e+03
Coefficient C			-5.86470e+01
Temperature range, min.			315.12
Temperature range, max.			449.30
Pvap	1.33	kPa	315.12	Calculated Property
Pvap	2.98	kPa	330.03	Calculated Property
Pvap	6.12	kPa	344.94	Calculated Property
Pvap	11.70	kPa	359.85	Calculated Property
Pvap	21.05	kPa	374.76	Calculated Property
Pvap	35.93	kPa	389.66	Calculated Property
Pvap	58.55	kPa	404.57	Calculated Property
Pvap	91.65	kPa	419.48	Calculated Property
Pvap	138.44	kPa	434.39	Calculated Property
Pvap	202.65	kPa	449.30	Calculated Property
Pvap	[1.56; 23.43]	kPa	[317.70; 378.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.60124e+01
Coefficient B			-4.45648e+03
Coefficient C			-3.14210e+01
Reference			Rose and Supina, 1961
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			317.70
Temperature range, max.			378.00
Pvap	1.56	kPa	317.70	Calculated Property
Pvap	2.23	kPa	324.40	Calculated Property
Pvap	3.13	kPa	331.10	Calculated Property
Pvap	4.34	kPa	337.80	Calculated Property
Pvap	5.92	kPa	344.50	Calculated Property
Pvap	7.97	kPa	351.20	Calculated Property
Pvap	10.62	kPa	357.90	Calculated Property
Pvap	13.97	kPa	364.60	Calculated Property
Pvap	18.18	kPa	371.30	Calculated Property
Pvap	23.43	kPa	378.00	Calculated Property
Pvap	[0.26; 5.32]	kPa	[288.00; 343.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61660e+01
Coefficient B			-4.63761e+03
Coefficient C			-2.30360e+01
Reference			Althouse and Triebold, 1944
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			288.00
Temperature range, max.			343.00
Pvap	0.26	kPa	288.00	Calculated Property
Pvap	0.39	kPa	294.11	Calculated Property
Pvap	0.57	kPa	300.22	Calculated Property
Pvap	0.82	kPa	306.33	Calculated Property
Pvap	1.15	kPa	312.44	Calculated Property
Pvap	1.60	kPa	318.56	Calculated Property
Pvap	2.21	kPa	324.67	Calculated Property
Pvap	2.99	kPa	330.78	Calculated Property
Pvap	4.01	kPa	336.89	Calculated Property
Pvap	5.32	kPa	343.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.01]	N/m	[202.15; 424.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.70142e-02
Coefficient B			-1.04500e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			202.15
Temperature range, max.			424.15
γ	0.04	N/m	202.15	Calculated Property
γ	0.03	N/m	226.82	Calculated Property
γ	0.03	N/m	251.48	Calculated Property
γ	0.03	N/m	276.15	Calculated Property
γ	0.03	N/m	300.82	Calculated Property
γ	0.02	N/m	325.48	Calculated Property
γ	0.02	N/m	350.15	Calculated Property
γ	0.02	N/m	374.82	Calculated Property
γ	0.02	N/m	399.48	Calculated Property
γ	0.01	N/m	424.15	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, methyl ester.

Mixtures

• Hexanoic acid, methyl ester + Water
• Acetonitrile + Hexanoic acid, methyl ester
• Propanenitrile + Hexanoic acid, methyl ester

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
• High-pressure liquid densities of fatty acid methyl esters: Measurement and prediction with the PC-SAFT equation of state
• Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
• Densities and interfacial tensions for fatty acid methyl esters (from methyl formate to methyl heptanoate) + water demixed mixtures at atmospheric pressure conditions
• Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel
• Heat capacities and thermal diffusivities of some n-alkanoic acid methyl esters
• Thermophysical properties of fatty acid methyl and ethyl esters
• Liquid viscosities for methyl hexanoate, methyl heptanoate, methyl caprylate, and methyl nonanoate at high pressures
• Measurement of Speed of Sound in Methyl Hexanoate from 297.83 to 588.07 K and up to 10 MPa
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 8. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 9. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in Trimethyl-butylammonium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography and Static Method
• Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Acetonitrile (2) Systems at 93.32 kPa
• Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
• Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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