Chemical Properties of Hexadecanoic acid, ethyl ester (CAS 628-97-7)

InChI

InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3

InChI Key

XIRNKXNNONJFQO-UHFFFAOYSA-N

Formula

C18H36O2

SMILES

CCCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

284.48

CAS

628-97-7

Other Names

• Ethyl hexadecanoate (Ethyl palmitate)
• Ethyl n-hexadecanoate
• ethyl hexadecanoate
• ethyl palmitate
• palmitic acid, ethyl ester

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (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	0.8919		Relay (1.0) Calculated Property
ΔcH°liquid	-11368.00 ± 1.00	kJ/mol	NIST
ΔfG°	-209.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-740.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.75	kJ/mol	Solid liquid equilibrium in ternary mixtures of ethyl oleate, ethyl laurate and ethyl palmitate
ΔvapH°	96.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	6.031		Crippen Calculated Property
McVol	271.920	ml/mol	McGowan Calculated Property
Pc	1156.14	kPa	Joback Calculated Property
Inp	[341.90; 2013.00]
Inp	1976.00		NIST
Inp	1976.00		NIST
Inp	1979.00		NIST
Inp	1982.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	1973.00		NIST
Inp	1981.00		NIST
Inp	1975.00		NIST
Inp	1994.00		NIST
Inp	1992.00		NIST
Inp	1968.00		NIST
Inp	1990.00		NIST
Inp	1994.00		NIST
Inp	1990.00		NIST
Inp	1993.00		NIST
Inp	1996.00		NIST
Inp	1995.70		NIST
Inp	1995.70		NIST
Inp	1993.00		NIST
Inp	1966.00		NIST
Inp	1997.00		NIST
Inp	1980.00		NIST
Inp	1993.00		NIST
Inp	1978.00		NIST
Inp	1983.00		NIST
Inp	1993.00		NIST
Inp	1981.00		NIST
Inp	1981.00		NIST
Inp	1975.00		NIST
Inp	1980.00		NIST
Inp	1991.00		NIST
Inp	1970.00		NIST
Inp	1978.00		NIST
Inp	1979.00		NIST
Inp	1993.50		NIST
Inp	2013.00		NIST
Inp	1999.00		NIST
Inp	1991.00		NIST
Inp	1992.00		NIST
Inp	1997.00		NIST
Inp	1985.00		NIST
Inp	1978.00		NIST
Inp	1979.00		NIST
Inp	1996.00		NIST
Inp	1996.00		NIST
Inp	1994.00		NIST
Inp	1994.00		NIST
Inp	1993.00		NIST
Inp	2005.00		NIST
Inp	1996.00		NIST
Inp	1968.00		NIST
Inp	1981.00		NIST
Inp	1992.00		NIST
Inp	1971.00		NIST
Inp	1987.00		NIST
Inp	1984.00		NIST
Inp	1990.00		NIST
Inp	1993.00		NIST
Inp	1996.00		NIST
Inp	1994.00		NIST
Inp	1990.00		NIST
Inp	1993.00		NIST
Inp	1995.00		NIST
Inp	1978.00		NIST
Inp	1979.00		NIST
Inp	1979.00		NIST
Inp	1986.00		NIST
Inp	1977.00		NIST
Inp	1978.00		NIST
Inp	1974.00		NIST
Inp	1975.00		NIST
Inp	1979.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	1979.00		NIST
Inp	1980.00		NIST
Inp	1975.00		NIST
Inp	1993.00		NIST
Inp	1995.00		NIST
Inp	1992.00		NIST
Inp	1994.00		NIST
Inp	1994.00		NIST
Inp	1991.00		NIST
Inp	1991.00		NIST
Inp	1992.00		NIST
Inp	1993.00		NIST
Inp	1996.00		NIST
Inp	2000.00		NIST
Inp	2000.00		NIST
Inp	1995.00		NIST
Inp	1994.00		NIST
Inp	1992.00		NIST
Inp	1993.00		NIST
Inp	1979.00		NIST
Inp	1993.00		NIST
Inp	1978.00		NIST
Inp	1990.00		NIST
Inp	1965.00		NIST
Inp	1993.00		NIST
Inp	2000.00		NIST
Inp	1980.00		NIST
Inp	1997.00		NIST
Inp	1997.00		NIST
Inp	1996.00		NIST
Inp	1984.00		NIST
Inp	1976.00		NIST
Inp	2005.00		NIST
Inp	1979.00		NIST
Inp	1981.00		NIST
Inp	Outlier 341.90		NIST
Inp	Outlier 342.60		NIST
Inp	1994.00		NIST
Inp	1990.00		NIST
Inp	1993.00		NIST
Inp	1978.00		NIST
Inp	1975.00		NIST
Inp	1979.00		NIST
Inp	1981.00		NIST
Inp	1986.00		NIST
Inp	1991.00		NIST
Inp	2000.00		NIST
Inp	1965.00		NIST
Inp	1997.00		NIST
Inp	Outlier 341.90		NIST
Inp	1976.00		NIST
I	[2205.00; 2288.00]
I	2240.00		NIST
I	2248.00		NIST
I	2245.00		NIST
I	2259.00		NIST
I	2257.00		NIST
I	2273.00		NIST
I	2243.00		NIST
I	2227.00		NIST
I	2235.00		NIST
I	2270.00		NIST
I	2250.00		NIST
I	2253.00		NIST
I	Outlier 2288.00		NIST
I	2241.00		NIST
I	2226.00		NIST
I	Outlier 2215.00		NIST
I	2252.00		NIST
I	2220.00		NIST
I	2276.00		NIST
I	2280.00		NIST
I	2238.00		NIST
I	2224.00		NIST
I	2224.00		NIST
I	2224.00		NIST
I	2256.00		NIST
I	2255.00		NIST
I	2246.00		NIST
I	2258.00		NIST
I	2254.00		NIST
I	Outlier 2205.00		NIST
I	2246.00		NIST
I	2238.00		NIST
I	2251.00		NIST
I	2259.00		NIST
I	2246.00		NIST
I	2259.00		NIST
I	2241.00		NIST
I	2259.00		NIST
I	2261.00		NIST
I	Outlier 2207.00		NIST
I	2261.00		NIST
I	2263.00		NIST
I	2281.00		NIST
I	2243.00		NIST
I	2258.00		NIST
I	2276.00		NIST
I	2256.00		NIST
I	2245.00		NIST
I	2257.00		NIST
I	2255.00		NIST
I	2229.00		NIST
I	2260.00		NIST
I	2256.00		NIST
I	2259.00		NIST
I	2249.00		NIST
I	2271.00		NIST
I	2243.00		NIST
I	2246.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2246.00		NIST
I	2274.00		NIST
I	2246.00		NIST
I	2248.00		NIST
I	2274.00		NIST
I	2255.00		NIST
I	2274.00		NIST
I	2225.00		NIST
I	2246.00		NIST
I	2248.00		NIST
I	2229.00		NIST
I	2262.00		NIST
I	2230.00		NIST
I	2262.00		NIST
I	2251.00		NIST
I	2235.00		NIST
I	2245.00		NIST
I	2235.00		NIST
I	2270.00		NIST
I	2251.00		NIST
I	2259.00		NIST
I	2243.00		NIST
I	2271.00		NIST
I	2248.00		NIST
I	2246.00		NIST
I	2262.00		NIST
I	2261.00		NIST
I	2257.00		NIST
Tboil	576.90	K	Relay (1.0) Calculated Property
Tc	759.36	K	Relay (1.0) Calculated Property
Tfus	[295.20; 298.23]	K
Tfus	298.23	K	Solid-liquid equilibrium in ternary mixtures of ethyl laurate, ethyl palmitate and ethyl stearate
Tfus	297.40	K	High pressure solid-liquid equilibrium of fatty acid ethyl esters binary systems
Tfus	297.70	K	Influence of Additives (Isoamyl Laurate or Isoamyl Nonanoate) in the Solid-Liquid Equilibrium of Fatty Acid Ethyl Esters
Tfus	297.70 ± 2.00	K	NIST
Tfus	297.15 ± 4.00	K	NIST
Tfus	298.20 ± 2.00	K	NIST
Tfus	295.20 ± 2.00	K	NIST
Tfus	295.20 ± 1.50	K	NIST
Vc	1.074	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0016233; 0.0050107]	Pa×s	[303.15; 363.15]
η	0.0050107	Pa×s	303.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0044399	Pa×s	308.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0039558	Pa×s	313.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0035472	Pa×s	318.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0031973	Pa×s	323.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0028969	Pa×s	328.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0026373	Pa×s	333.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0024121	Pa×s	338.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0022140	Pa×s	343.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0020391	Pa×s	348.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0018842	Pa×s	353.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0017464	Pa×s	358.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
η	0.0016233	Pa×s	363.15	Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
ΔfusH	[15.09; 53.14]	kJ/mol	[296.00; 296.40]
ΔfusH	53.14	kJ/mol	296.00	NIST
ΔfusH	15.09	kJ/mol	296.35	NIST
ΔfusH	15.09	kJ/mol	296.40	NIST
ΔfusH	15.09	kJ/mol	296.40	NIST
ΔsubH	150.80	kJ/mol	290.00	NIST
ΔvapH	[73.90; 100.70]	kJ/mol	[308.00; 447.50]
ΔvapH	100.70	kJ/mol	308.00	NIST
ΔvapH	73.90	kJ/mol	447.50	NIST
Pvap	[0.10; 9.33]	kPa	[412.63; 515.13]
Pvap	0.10	kPa	412.63	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	0.15	kPa	419.36	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	0.20	kPa	425.07	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	0.30	kPa	433.31	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	0.40	kPa	438.71	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	0.50	kPa	442.68	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	0.65	kPa	448.35	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	0.80	kPa	452.99	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	1.00	kPa	457.98	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	1.20	kPa	462.64	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	1.33	kPa	464.49	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
Pvap	1.50	kPa	468.07	Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
Pvap	2.67	kPa	481.90	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
Pvap	4.00	kPa	495.23	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
Pvap	5.33	kPa	502.27	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
Pvap	5.33	kPa	502.27	Vapor liquid equilibrium of fatty acid ethyl esters determined using DSC
Pvap	6.67	kPa	508.10	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
Pvap	8.00	kPa	512.23	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
Pvap	9.33	kPa	515.13	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
Pvap	9.33	kPa	515.13	Vapor liquid equilibrium of fatty acid ethyl esters determined using DSC
n0	1.43700		298.15	(Vapor + liquid) equilibrium for the binary systems {water + glycerol} and {ethanol + glycerol, ethyl stearate, and ethyl palmitate} at low pressures

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[464.20; 465.70]	K	[1.30; 1.30]
Tboilr	465.70	K	1.30	NIST
Tboilr	464.20	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.67; 956.08]	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			1.19350e+01
Coefficient B			1.65904e+00
Coefficient C			-8.60800e-04
Coefficient D			1.45900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.67	J/mol×K	273.00	Calculated Property
Cp,gas	497.59	J/mol×K	353.78	Calculated Property
Cp,gas	582.30	J/mol×K	434.56	Calculated Property
Cp,gas	658.26	J/mol×K	515.33	Calculated Property
Cp,gas	725.93	J/mol×K	596.11	Calculated Property
Cp,gas	785.77	J/mol×K	676.89	Calculated Property
Cp,gas	838.24	J/mol×K	757.67	Calculated Property
Cp,gas	883.81	J/mol×K	838.44	Calculated Property
Cp,gas	922.93	J/mol×K	919.22	Calculated Property
Cp,gas	956.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[477.80; 647.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.60464e+01
Coefficient B			-5.71995e+03
Coefficient C			-1.14830e+02
Temperature range, min.			477.80
Temperature range, max.			647.67
Pvap	1.33	kPa	477.80	Calculated Property
Pvap	2.91	kPa	496.67	Calculated Property
Pvap	5.88	kPa	515.55	Calculated Property
Pvap	11.18	kPa	534.42	Calculated Property
Pvap	20.11	kPa	553.30	Calculated Property
Pvap	34.45	kPa	572.17	Calculated Property
Pvap	56.55	kPa	591.05	Calculated Property
Pvap	89.39	kPa	609.92	Calculated Property
Pvap	136.63	kPa	628.80	Calculated Property
Pvap	202.66	kPa	647.67	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, ethyl ester.

Mixtures

• Ethanol + Hexadecanoic acid, ethyl ester
• Dodecanoic acid, ethyl ester + Hexadecanoic acid, ethyl ester
• Hexadecanoic acid, ethyl ester + Octadecanoic acid, ethyl ester
• Dodecanoic acid, ethyl ester + Hexadecanoic acid, ethyl ester + Octadecanoic acid, ethyl ester
• Hexadecanoic acid, ethyl ester + Tetradecanoic acid, ethyl ester
• Carbon dioxide + Hexadecanoic acid, ethyl ester
• Carbon dioxide + Ethanol + Hexadecanoic acid, ethyl ester
• Ethanol + Hexadecanoic acid, ethyl ester + Water
• Ethanol + Hexadecanoic acid, ethyl ester + Glycerin
• Hexadecanoic acid, ethyl ester + Ethyl Oleate
• Hexadecanoic acid, ethyl ester + Linoleic acid ethyl ester
• Dodecanoic acid, ethyl ester + Hexadecanoic acid, ethyl ester + Tetradecanoic acid, ethyl ester
• Dodecanoic acid, ethyl ester + Hexadecanoic acid, ethyl ester + Ethyl Oleate
• Hexadecanoic acid, ethyl ester + Nonanoic acid, 3-methylbutyl ester
• Isoamyl laurate + Hexadecanoic acid, ethyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid liquid equilibrium in ternary mixtures of ethyl oleate, ethyl laurate and ethyl palmitate
• Isobaric vapor liquid equilibrium for binary system of ethyl myristate + ethyl palmitate at 0.5, 1.0 and 1.5 kPa
• LLE for the systems ethyl palmitate (palmiticacid)(1) + ethanol(2) + glycerol (water)(3)
• Solid-liquid equilibrium in ternary mixtures of ethyl laurate, ethyl palmitate and ethyl stearate
• Solid-liquid equilibrium in ternary mixtures of ethyl laurate, ethyl palmitate and ethyl myristate
• High pressure solid-liquid equilibrium of fatty acid ethyl esters binary systems
• Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
• (Vapor + liquid) equilibrium for the binary systems {water + glycerol} and {ethanol + glycerol, ethyl stearate, and ethyl palmitate} at low pressures
• Phase equilibrium measurements and thermodynamic modelling for the system (CO2 + ethyl palmitate + ethanol) at high pressures
• Vapor liquid equilibrium of fatty acid ethyl esters determined using DSC
• High Pressure Phase Equilibria of the CO2/Saturated Ethyl Esters Homologous Series
• Influence of Additives (Isoamyl Laurate or Isoamyl Nonanoate) in the Solid-Liquid Equilibrium of Fatty Acid Ethyl Esters
• Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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