Chemical Properties of Hexanoic acid, ethyl ester (CAS 123-66-0)

InChI

InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3

InChI Key

SHZIWNPUGXLXDT-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCCCC(=O)OCC

Molecular Weight¹

144.21

CAS

123-66-0

Other Names

• 8068-81-3
• Acetic acid, butyl-, ethyl ester
• Ethyl butyl acetate
• Ethyl ester of hexanoic acid
• Ethyl hexoate
• Ethyl n-hexanoate
• NSC 8882
• caproic acid ethyl ester
• ethyl caproate
• ethyl hexanoate
• n-Caproic acid ethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_c : Critical Temperature (K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5236		Relay (1.0) Calculated Property
ΔfG°	-293.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-528.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-579.10 ± 1.10	kJ/mol	NIST
ΔfusH°	20.85	kJ/mol	Joback Calculated Property
ΔvapH°	[50.60; 52.00]	kJ/mol
ΔvapH°	50.60 ± 0.40	kJ/mol	NIST
ΔvapH°	52.00 ± 1.00	kJ/mol	NIST
ΔvapH°	51.10	kJ/mol	NIST
ΔvapH°	51.50 ± 1.30	kJ/mol	NIST
ΔvapH°	51.72 ± 0.10	kJ/mol	NIST
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-2.35		Estimated Solubility
logPoct/wat	2.130		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2548.19	kPa	Joback Calculated Property
Inp	[159.00; 1014.00]
Inp	982.90		NIST
Inp	979.00		NIST
Inp	989.00		NIST
Inp	1000.00		NIST
Inp	982.00		NIST
Inp	981.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	986.00		NIST
Inp	1000.00		NIST
Inp	983.00		NIST
Inp	990.00		NIST
Inp	986.00		NIST
Inp	994.00		NIST
Inp	991.00		NIST
Inp	986.00		NIST
Inp	992.00		NIST
Inp	986.00		NIST
Inp	986.00		NIST
Inp	985.00		NIST
Inp	988.00		NIST
Inp	982.00		NIST
Inp	982.00		NIST
Inp	1000.00		NIST
Inp	998.00		NIST
Inp	999.00		NIST
Inp	991.00		NIST
Inp	991.00		NIST
Inp	976.00		NIST
Inp	999.00		NIST
Inp	1000.00		NIST
Inp	997.00		NIST
Inp	996.00		NIST
Inp	976.00		NIST
Inp	996.00		NIST
Inp	1010.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	1002.00		NIST
Inp	996.00		NIST
Inp	996.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	995.00		NIST
Inp	997.00		NIST
Inp	1000.00		NIST
Inp	980.00		NIST
Inp	1001.00		NIST
Inp	999.00		NIST
Inp	981.00		NIST
Inp	996.00		NIST
Inp	1003.00		NIST
Inp	979.00		NIST
Inp	997.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	1014.00		NIST
Inp	1000.00		NIST
Inp	985.00		NIST
Inp	1002.00		NIST
Inp	1003.00		NIST
Inp	1005.00		NIST
Inp	996.00		NIST
Inp	1002.00		NIST
Inp	1003.00		NIST
Inp	1003.00		NIST
Inp	979.00		NIST
Inp	1002.00		NIST
Inp	1003.00		NIST
Inp	1003.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	1011.00		NIST
Inp	1000.00		NIST
Inp	993.00		NIST
Inp	979.00		NIST
Inp	998.40		NIST
Inp	998.00		NIST
Inp	1001.00		NIST
Inp	996.00		NIST
Inp	994.00		NIST
Inp	994.00		NIST
Inp	998.00		NIST
Inp	996.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	1001.00		NIST
Inp	1003.00		NIST
Inp	1006.00		NIST
Inp	1001.00		NIST
Inp	1002.00		NIST
Inp	992.00		NIST
Inp	996.00		NIST
Inp	995.00		NIST
Inp	1001.00		NIST
Inp	998.00		NIST
Inp	999.00		NIST
Inp	989.00		NIST
Inp	998.00		NIST
Inp	997.00		NIST
Inp	1003.00		NIST
Inp	996.00		NIST
Inp	1002.00		NIST
Inp	999.00		NIST
Inp	1002.00		NIST
Inp	1002.00		NIST
Inp	1005.00		NIST
Inp	998.00		NIST
Inp	982.00		NIST
Inp	990.00		NIST
Inp	996.00		NIST
Inp	997.00		NIST
Inp	1011.00		NIST
Inp	998.00		NIST
Inp	1001.00		NIST
Inp	1000.00		NIST
Inp	998.00		NIST
Inp	998.00		NIST
Inp	998.00		NIST
Inp	999.00		NIST
Inp	1004.00		NIST
Inp	981.00		NIST
Inp	1010.00		NIST
Inp	1005.00		NIST
Inp	1001.00		NIST
Inp	1010.00		NIST
Inp	996.00		NIST
Inp	1003.00		NIST
Inp	1002.00		NIST
Inp	1001.00		NIST
Inp	988.00		NIST
Inp	985.00		NIST
Inp	987.00		NIST
Inp	994.00		NIST
Inp	998.00		NIST
Inp	1000.00		NIST
Inp	1002.00		NIST
Inp	997.00		NIST
Inp	1000.00		NIST
Inp	990.00		NIST
Inp	983.00		NIST
Inp	1004.00		NIST
Inp	996.00		NIST
Inp	1004.00		NIST
Inp	982.00		NIST
Inp	993.00		NIST
Inp	998.00		NIST
Inp	1002.00		NIST
Inp	1003.00		NIST
Inp	1003.00		NIST
Inp	996.00		NIST
Inp	981.00		NIST
Inp	980.00		NIST
Inp	984.00		NIST
Inp	979.00		NIST
Inp	996.00		NIST
Inp	983.00		NIST
Inp	986.00		NIST
Inp	988.00		NIST
Inp	981.00		NIST
Inp	991.00		NIST
Inp	982.00		NIST
Inp	975.00		NIST
Inp	985.00		NIST
Inp	1000.00		NIST
Inp	1001.00		NIST
Inp	985.00		NIST
Inp	975.00		NIST
Inp	998.00		NIST
Inp	999.00		NIST
Inp	975.00		NIST
Inp	1007.00		NIST
Inp	995.00		NIST
Inp	999.00		NIST
Inp	1007.00		NIST
Inp	999.00		NIST
Inp	998.00		NIST
Inp	1010.00		NIST
Inp	999.00		NIST
Inp	977.00		NIST
Inp	959.00		NIST
Inp	976.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	983.00		NIST
Inp	984.00		NIST
Inp	976.00		NIST
Inp	999.00		NIST
Inp	996.00		NIST
Inp	994.00		NIST
Inp	975.00		NIST
Inp	975.00		NIST
Inp	996.00		NIST
Inp	984.00		NIST
Inp	999.00		NIST
Inp	994.00		NIST
Inp	1002.00		NIST
Inp	1002.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	996.00		NIST
Inp	999.00		NIST
Inp	983.00		NIST
Inp	1000.00		NIST
Inp	1001.00		NIST
Inp	1001.00		NIST
Inp	997.00		NIST
Inp	997.00		NIST
Inp	983.00		NIST
Inp	1001.00		NIST
Inp	997.00		NIST
Inp	1001.00		NIST
Inp	1001.00		NIST
Inp	999.00		NIST
Inp	997.00		NIST
Inp	995.00		NIST
Inp	997.00		NIST
Inp	1003.00		NIST
Inp	999.00		NIST
Inp	999.00		NIST
Inp	974.00		NIST
Inp	980.00		NIST
Inp	1003.00		NIST
Inp	983.00		NIST
Inp	980.00		NIST
Inp	984.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	1002.00		NIST
Inp	1000.00		NIST
Inp	980.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	983.00		NIST
Inp	983.00		NIST
Inp	981.00		NIST
Inp	Outlier 159.00		NIST
Inp	1000.00		NIST
Inp	991.00		NIST
Inp	985.00		NIST
Inp	Outlier 159.00		NIST
Inp	982.90		NIST
Inp	981.00		NIST
Inp	986.00		NIST
Ip	[1183.00; 1271.00]
Ip	1231.00		NIST
Ip	Outlier 1267.00		NIST
Ip	1220.00		NIST
Ip	1229.00		NIST
Ip	1229.00		NIST
Ip	1226.00		NIST
Ip	1223.00		NIST
Ip	1223.00		NIST
Ip	1236.00		NIST
Ip	1258.00		NIST
Ip	1241.00		NIST
Ip	1246.00		NIST
Ip	1241.00		NIST
Ip	1241.00		NIST
Ip	1230.00		NIST
Ip	1213.00		NIST
Ip	1216.00		NIST
Ip	1232.00		NIST
Ip	1220.00		NIST
Ip	1222.00		NIST
Ip	1241.00		NIST
Ip	1244.00		NIST
Ip	1232.00		NIST
Ip	1244.00		NIST
Ip	1240.00		NIST
Ip	1240.00		NIST
Ip	1240.00		NIST
Ip	1246.00		NIST
Ip	1236.00		NIST
Ip	1248.00		NIST
Ip	1239.00		NIST
Ip	1237.00		NIST
Ip	1236.00		NIST
Ip	1230.00		NIST
Ip	1227.00		NIST
Ip	1247.00		NIST
Ip	1253.00		NIST
Ip	1221.00		NIST
Ip	1224.00		NIST
Ip	1242.00		NIST
Ip	1258.00		NIST
Ip	Outlier 1267.00		NIST
Ip	1231.00		NIST
Ip	1245.00		NIST
Ip	1221.00		NIST
Ip	1232.00		NIST
Ip	1224.00		NIST
Ip	1244.00		NIST
Ip	1224.00		NIST
Ip	1232.00		NIST
Ip	1233.00		NIST
Ip	1226.00		NIST
Ip	1241.00		NIST
Ip	1223.00		NIST
Ip	1229.00		NIST
Ip	1212.00		NIST
Ip	1229.00		NIST
Ip	1233.00		NIST
Ip	1222.00		NIST
Ip	1241.00		NIST
Ip	1225.00		NIST
Ip	Outlier 1271.00		NIST
Ip	1241.20		NIST
Ip	1224.00		NIST
Ip	1225.00		NIST
Ip	1240.00		NIST
Ip	1238.00		NIST
Ip	1238.00		NIST
Ip	1228.00		NIST
Ip	1230.00		NIST
Ip	1238.00		NIST
Ip	1237.00		NIST
Ip	1220.00		NIST
Ip	1230.00		NIST
Ip	1220.00		NIST
Ip	1223.00		NIST
Ip	Outlier 1261.00		NIST
Ip	1224.00		NIST
Ip	1228.00		NIST
Ip	1238.00		NIST
Ip	1242.00		NIST
Ip	1251.00		NIST
Ip	1234.00		NIST
Ip	1230.00		NIST
Ip	1230.00		NIST
Ip	1220.00		NIST
Ip	1220.00		NIST
Ip	1248.00		NIST
Ip	1235.00		NIST
Ip	1235.00		NIST
Ip	1220.00		NIST
Ip	1240.00		NIST
Ip	1258.00		NIST
Ip	1223.00		NIST
Ip	1251.00		NIST
Ip	1230.00		NIST
Ip	1230.00		NIST
Ip	1237.00		NIST
Ip	1251.00		NIST
Ip	1240.00		NIST
Ip	1240.00		NIST
Ip	1230.00		NIST
Ip	1212.00		NIST
Ip	1249.00		NIST
Ip	Outlier 1205.00		NIST
Ip	1226.00		NIST
Ip	1244.00		NIST
Ip	1235.00		NIST
Ip	1241.00		NIST
Ip	1232.00		NIST
Ip	1238.00		NIST
Ip	1234.00		NIST
Ip	1226.00		NIST
Ip	1223.00		NIST
Ip	Outlier 1205.00		NIST
Ip	1232.00		NIST
Ip	1231.00		NIST
Ip	1232.00		NIST
Ip	Outlier 1208.00		NIST
Ip	1251.00		NIST
Ip	1236.00		NIST
Ip	1221.00		NIST
Ip	1243.00		NIST
Ip	1244.00		NIST
Ip	1235.00		NIST
Ip	1223.00		NIST
Ip	1235.00		NIST
Ip	1231.00		NIST
Ip	1235.00		NIST
Ip	1217.00		NIST
Ip	1254.00		NIST
Ip	1234.00		NIST
Ip	1222.00		NIST
Ip	1251.00		NIST
Ip	Outlier 1270.00		NIST
Ip	1233.00		NIST
Ip	1248.00		NIST
Ip	1233.00		NIST
Ip	1229.00		NIST
Ip	1229.00		NIST
Ip	1258.00		NIST
Ip	1225.00		NIST
Ip	Outlier 1259.00		NIST
Ip	1233.00		NIST
Ip	1224.00		NIST
Ip	1224.00		NIST
Ip	1244.00		NIST
Ip	1232.00		NIST
Ip	1244.00		NIST
Ip	1221.00		NIST
Ip	1220.00		NIST
Ip	1252.00		NIST
Ip	Outlier 1259.00		NIST
Ip	1222.00		NIST
Ip	1227.00		NIST
Ip	1236.00		NIST
Ip	1223.00		NIST
Ip	1253.00		NIST
Ip	1238.00		NIST
Ip	1239.00		NIST
Ip	1238.00		NIST
Ip	1238.00		NIST
Ip	1238.00		NIST
Ip	Outlier 1183.00		NIST
Ip	1248.00		NIST
Ip	1209.00		NIST
Ip	Outlier 1199.00		NIST
Ip	1231.00		NIST
Ip	1218.00		NIST
Ip	1231.30		NIST
Ip	1223.00		NIST
Ip	1236.00		NIST
Ip	1228.00		NIST
Ip	1228.00		NIST
Ip	1228.00		NIST
Ip	1223.00		NIST
Ip	1227.00		NIST
Ip	1223.00		NIST
Ip	1227.00		NIST
Ip	1223.00		NIST
Ip	1227.00		NIST
Ip	1223.00		NIST
Ip	1227.00		NIST
Ip	1227.00		NIST
Ip	1245.00		NIST
Ip	1241.00		NIST
Ip	1223.00		NIST
Ip	1244.00		NIST
Ip	1236.00		NIST
Ip	1238.00		NIST
Ip	1238.00		NIST
Ip	1240.00		NIST
Ip	1233.00		NIST
Ip	1252.00		NIST
Ip	1237.00		NIST
Ip	1241.00		NIST
Ip	1241.00		NIST
Ip	1242.00		NIST
Ip	1258.00		NIST
Ip	1258.00		NIST
Ip	1241.00		NIST
Ip	1240.00		NIST
Ip	1242.00		NIST
Ip	1221.00		NIST
Ip	1221.00		NIST
Ip	1238.00		NIST
Ip	1223.00		NIST
Ip	1244.00		NIST
Ip	Outlier 1205.00		NIST
Ip	1244.00		NIST
Ip	1229.00		NIST
Ip	1238.00		NIST
Ip	1242.00		NIST
Ip	1232.00		NIST
Ip	1232.00		NIST
Ip	1224.00		NIST
Ip	1226.00		NIST
Ip	1244.00		NIST
Ip	1243.00		NIST
Ip	1246.00		NIST
Ip	1224.00		NIST
Ip	1233.00		NIST
Ip	1229.00		NIST
Ip	1241.00		NIST
Ip	1241.00		NIST
Ip	1243.00		NIST
Ip	1230.00		NIST
Ip	1226.00		NIST
Ip	1235.00		NIST
Ip	1236.00		NIST
Ip	1216.00		NIST
Ip	1250.00		NIST
Ip	1226.00		NIST
Ip	1243.00		NIST
Ip	Outlier 1259.00		NIST
Ip	1250.00		NIST
Ip	1223.00		NIST
Ip	1243.00		NIST
Ip	1222.00		NIST
Ip	1223.00		NIST
Ip	1248.00		NIST
Ip	1224.00		NIST
Ip	1229.00		NIST
Ip	1229.00		NIST
Ip	Outlier 1199.00		NIST
Ip	1255.00		NIST
Ip	1232.00		NIST
Ip	1217.00		NIST
Ip	1223.00		NIST
Ip	1248.00		NIST
Ip	1223.00		NIST
Ip	1245.00		NIST
Ip	1223.00		NIST
Ip	1229.00		NIST
Ip	1245.00		NIST
Ip	1245.00		NIST
Ip	1238.00		NIST
Ip	1225.00		NIST
Ip	1225.00		NIST
Ip	1223.00		NIST
Ip	1231.00		NIST
Ip	1244.00		NIST
Ip	1235.00		NIST
Ip	1246.00		NIST
Ip	1232.00		NIST
Ip	1223.00		NIST
Ip	1238.00		NIST
Ip	1230.00		NIST
Ip	1235.00		NIST
Ip	1251.00		NIST
Ip	1240.00		NIST
Ip	Outlier 1205.00		NIST
Ip	1232.00		NIST
Ip	1246.00		NIST
Ip	1236.00		NIST
Ip	1221.00		NIST
Ip	1231.00		NIST
Ip	1244.00		NIST
Ip	1241.00		NIST
Ip	1233.00		NIST
Ip	1241.20		NIST
Ip	1220.00		NIST
Ip	1224.00		NIST
Ip	1229.00		NIST
Ip	1243.00		NIST
Ip	1216.00		NIST
Ip	1250.00		NIST
Ip	1248.00		NIST
Ip	1255.00		NIST
Ip	1223.00		NIST
Ip	1245.00		NIST
Tboil	[435.00; 441.20]	K
Tboil	441.20	K	NIST
Tboil	440.06 ± 0.30	K	NIST
Tboil	439.80 ± 1.00	K	NIST
Tboil	439.80 ± 1.50	K	NIST
Tboil	435.00 ± 5.00	K	NIST
Tc	[615.20; 615.22]	K
Tc	615.22	K	Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements
Tc	615.20	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	615.20 ± 0.60	K	NIST
Tfus	[205.51; 206.15]	K
Tfus	206.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	205.51 ± 0.30	K	NIST
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0004290; 0.0011020]	Pa×s	[288.15; 343.15]
η	0.0011020	Pa×s	288.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
η	0.0008160	Pa×s	293.15	Density and Viscosity of Binary Mixtures of Ethyl-2-methylbutyrate and Ethyl Hexanoate with Methanol, Ethanol, and 1-Propanol at (293.15, 303.15, and 313.15) K
η	0.0008160	Pa×s	293.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0007570	Pa×s	298.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0009400	Pa×s	298.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
η	0.0007040	Pa×s	303.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0007040	Pa×s	303.15	Density and Viscosity of Binary Mixtures of Ethyl-2-methylbutyrate and Ethyl Hexanoate with Methanol, Ethanol, and 1-Propanol at (293.15, 303.15, and 313.15) K
η	0.0006560	Pa×s	308.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0008140	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
η	0.0006140	Pa×s	313.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0006140	Pa×s	313.15	Density and Viscosity of Binary Mixtures of Ethyl-2-methylbutyrate and Ethyl Hexanoate with Methanol, Ethanol, and 1-Propanol at (293.15, 303.15, and 313.15) K
η	0.0005760	Pa×s	318.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0007110	Pa×s	318.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
η	0.0005410	Pa×s	323.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0005090	Pa×s	328.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0004820	Pa×s	333.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0004560	Pa×s	338.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0004290	Pa×s	343.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
ΔvapH	[47.40; 51.80]	kJ/mol	[294.00; 422.50]
ΔvapH	50.80 ± 0.40	kJ/mol	294.00	NIST
ΔvapH	48.60	kJ/mol	338.00	NIST
ΔvapH	47.40 ± 0.30	kJ/mol	359.50	NIST
ΔvapH	51.80	kJ/mol	422.50	NIST
Pvap	[3.44e-03; 174.60]	kPa	[253.41; 462.43]
Pvap	3.44e-03	kPa	253.41	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	0.01	kPa	263.26	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	0.07	kPa	283.06	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	0.14	kPa	293.05	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	0.29	kPa	303.03	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	0.56	kPa	313.15	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	1.02	kPa	323.18	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	1.78	kPa	333.11	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	2.98	kPa	343.09	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	4.55	kPa	351.97	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	7.18	kPa	362.10	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	10.93	kPa	372.13	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	11.35	kPa	373.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	16.07	kPa	382.15	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	16.69	kPa	383.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	23.19	kPa	392.23	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	23.94	kPa	393.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	32.56	kPa	402.19	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	33.59	kPa	403.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	44.90	kPa	412.21	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	46.18	kPa	413.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	60.62	kPa	422.19	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	62.32	kPa	423.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	80.76	kPa	432.28	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	82.69	kPa	433.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	105.57	kPa	442.29	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	108.02	kPa	443.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	136.73	kPa	452.34	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
Pvap	139.11	kPa	453.15	Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
Pvap	174.60	kPa	462.43	Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
n0	[1.37754; 1.41438]		[278.15; 358.15]
n0	1.41438		278.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.41210		283.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40982		288.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40753		293.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40525		298.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40295		303.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.40063		308.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39829		313.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39594		318.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39360		323.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.39128		328.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38897		333.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38667		338.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38438		343.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.38210		348.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.37983		353.15	Thermophysical properties of fatty acid methyl and ethyl esters
n0	1.37754		358.15	Thermophysical properties of fatty acid methyl and ethyl esters
ρl	[865.59; 866.29]	kg/m3	[298.15; 298.15]
ρl	866.29	kg/m3	298.15	Refractive Indices and Surface Tensions of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
ρl	865.59	kg/m3	298.15	Ebulliometric Determination and Prediction of Vapor Liquid Equilibria for Binary Mixtures of Ethanol and Ethyl Hexanoate
csound,fluid	[592.40; 1220.10]	m/s	[294.37; 473.82]
csound,fluid	1220.10	m/s	294.37	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	1191.00	m/s	301.55	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	1152.70	m/s	313.34	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	1115.10	m/s	324.26	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	1077.60	m/s	333.16	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	1046.10	m/s	343.20	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	1010.00	m/s	353.08	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	975.00	m/s	363.12	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	942.00	m/s	373.14	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	905.40	m/s	383.76	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	870.10	m/s	393.30	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	834.90	m/s	402.64	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	800.80	m/s	413.59	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	764.00	m/s	423.96	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	730.30	m/s	433.99	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	697.60	m/s	443.55	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	661.00	m/s	452.90	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	628.80	m/s	463.10	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
csound,fluid	592.40	m/s	473.82	Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
γ	[0.02; 0.03]	N/m	[288.15; 358.15]
γ	0.03	N/m	288.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	298.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.02	N/m	308.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.02	N/m	318.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.02	N/m	328.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.02	N/m	338.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.02	N/m	348.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.02	N/m	358.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
λliquid	[0.12; 0.15]	W/m×K	[254.29; 383.37]
λliquid	0.15	W/m×K	254.29	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.14	W/m×K	264.08	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.14	W/m×K	274.02	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.14	W/m×K	283.95	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.14	W/m×K	293.74	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.14	W/m×K	303.70	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.13	W/m×K	313.76	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.13	W/m×K	323.67	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.13	W/m×K	333.63	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.12	W/m×K	343.56	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.12	W/m×K	353.55	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.12	W/m×K	363.41	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.12	W/m×K	373.40	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
λliquid	0.12	W/m×K	383.37	Measurement of the thermal conductivity of five aliphatic esters in the liquid phase

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.53; 440.16]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.10250e+01
Coefficient B			7.09040e-01
Coefficient C			-3.16800e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.53	J/mol×K	273.00	Calculated Property
Cp,gas	233.41	J/mol×K	353.78	Calculated Property
Cp,gas	271.53	J/mol×K	434.56	Calculated Property
Cp,gas	305.97	J/mol×K	515.33	Calculated Property
Cp,gas	336.82	J/mol×K	596.11	Calculated Property
Cp,gas	364.16	J/mol×K	676.89	Calculated Property
Cp,gas	388.08	J/mol×K	757.67	Calculated Property
Cp,gas	408.66	J/mol×K	838.44	Calculated Property
Cp,gas	426.00	J/mol×K	919.22	Calculated Property
Cp,gas	440.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[329.12; 468.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48813e+01
Coefficient B			-3.87622e+03
Coefficient C			-6.35120e+01
Temperature range, min.			329.12
Temperature range, max.			468.56
Pvap	1.33	kPa	329.12	Calculated Property
Pvap	2.98	kPa	344.61	Calculated Property
Pvap	6.12	kPa	360.11	Calculated Property
Pvap	11.72	kPa	375.60	Calculated Property
Pvap	21.08	kPa	391.09	Calculated Property
Pvap	35.98	kPa	406.59	Calculated Property
Pvap	58.62	kPa	422.08	Calculated Property
Pvap	91.73	kPa	437.57	Calculated Property
Pvap	138.51	kPa	453.07	Calculated Property
Pvap	202.67	kPa	468.56	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[206.15; 441.15]	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			5.39524e-02
Coefficient B			-9.60000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			206.15
Temperature range, max.			441.15
γ	0.03	N/m	206.15	Calculated Property
γ	0.03	N/m	232.26	Calculated Property
γ	0.03	N/m	258.37	Calculated Property
γ	0.03	N/m	284.48	Calculated Property
γ	0.02	N/m	310.59	Calculated Property
γ	0.02	N/m	336.71	Calculated Property
γ	0.02	N/m	362.82	Calculated Property
γ	0.02	N/m	388.93	Calculated Property
γ	0.01	N/m	415.04	Calculated Property
γ	0.01	N/m	441.15	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, ethyl ester.

Mixtures

• Hexanoic acid, ethyl ester + Carbon dioxide
• Hexanoic acid, ethyl ester + Ethanol
• Hexanoic acid, ethyl ester + Tetradecane
• Hexanoic acid, ethyl ester + Water
• Hexanoic acid, ethyl ester + Ethanol + Water
• Hexanoic acid, ethyl ester + Methyl Alcohol
• 1-Propanol + Hexanoic acid, ethyl 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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• 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)
• Crippen Method
• Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa
• Solubilities of CO2 capture absorbents methyl benzoate, ethyl hexanoate and methyl heptanoate
• Below the room temperature measurements of solubilities in ester absorbents for CO2 capture
• Thermophysical properties of fatty acid methyl and ethyl esters
• Measurement of the thermal conductivity of five aliphatic esters in the liquid phase
• Liquid-Liquid Equilibria for Ternary Mixtures of Water + Ethanol with 1-Hexanol, Butyl Propionate, or Ethyl Caproate
• Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
• Density and Viscosity of Binary Mixtures of Ethyl-2-methylbutyrate and Ethyl Hexanoate with Methanol, Ethanol, and 1-Propanol at (293.15, 303.15, and 313.15) K
• Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
• Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
• Refractive Indices and Surface Tensions of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
• Experimental Vapor Pressures of Five Saturated Fatty Acid Ethyl Ester (FAEE) Components of Biodiesel
• Ebulliometric Determination and Prediction of Vapor Liquid Equilibria for Binary Mixtures of Ethanol and Ethyl Hexanoate
• Isothermal Vapor Liquid Equilibria of n-Tetradecane + Ethyl Hexanoate, Ethyl Decanoate, and Ethyl Tetradecanoate
• Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements
• Joback Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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