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

Hexadecanoic acid, ethyl ester

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
  • Ethylhexadecanoate
  • Hexadecanoic acid ethyl ester
  • ethyl hexadecanoate
  • ethyl palmitate
  • palmitic acid, ethyl ester
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Physical Properties

Property Value Unit Source
ω 0.8494 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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 1315.20 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp [341.90; 2013.00]   Show Hide
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
Ip [2205.00; 2288.00]   Show Hide
Ip 2240.00 NIST
Ip 2248.00 NIST
Ip 2245.00 NIST
Ip 2259.00 NIST
Ip 2257.00 NIST
Ip 2273.00 NIST
Ip 2243.00 NIST
Ip 2227.00 NIST
Ip 2235.00 NIST
Ip 2270.00 NIST
Ip 2250.00 NIST
Ip 2253.00 NIST
Ip Outlier 2288.00 NIST
Ip 2241.00 NIST
Ip 2226.00 NIST
Ip Outlier 2215.00 NIST
Ip 2252.00 NIST
Ip 2220.00 NIST
Ip 2276.00 NIST
Ip 2280.00 NIST
Ip 2238.00 NIST
Ip 2224.00 NIST
Ip 2224.00 NIST
Ip 2224.00 NIST
Ip 2256.00 NIST
Ip 2255.00 NIST
Ip 2246.00 NIST
Ip 2258.00 NIST
Ip 2254.00 NIST
Ip Outlier 2205.00 NIST
Ip 2246.00 NIST
Ip 2238.00 NIST
Ip 2251.00 NIST
Ip 2259.00 NIST
Ip 2246.00 NIST
Ip 2259.00 NIST
Ip 2241.00 NIST
Ip 2259.00 NIST
Ip 2261.00 NIST
Ip Outlier 2207.00 NIST
Ip 2261.00 NIST
Ip 2263.00 NIST
Ip 2281.00 NIST
Ip 2243.00 NIST
Ip 2258.00 NIST
Ip 2276.00 NIST
Ip 2256.00 NIST
Ip 2245.00 NIST
Ip 2257.00 NIST
Ip 2255.00 NIST
Ip 2229.00 NIST
Ip 2260.00 NIST
Ip 2256.00 NIST
Ip 2259.00 NIST
Ip 2249.00 NIST
Ip 2271.00 NIST
Ip 2243.00 NIST
Ip 2246.00 NIST
Ip 2271.00 NIST
Ip 2271.00 NIST
Ip 2246.00 NIST
Ip 2274.00 NIST
Ip 2246.00 NIST
Ip 2248.00 NIST
Ip 2274.00 NIST
Ip 2255.00 NIST
Ip 2274.00 NIST
Ip 2225.00 NIST
Ip 2246.00 NIST
Ip 2248.00 NIST
Ip 2229.00 NIST
Ip 2262.00 NIST
Ip 2230.00 NIST
Ip 2262.00 NIST
Ip 2251.00 NIST
Ip 2235.00 NIST
Ip 2245.00 NIST
Ip 2235.00 NIST
Ip 2270.00 NIST
Ip 2251.00 NIST
Ip 2259.00 NIST
Ip 2243.00 NIST
Ip 2271.00 NIST
Ip 2248.00 NIST
Ip 2246.00 NIST
Ip 2262.00 NIST
Ip 2261.00 NIST
Ip 2257.00 NIST
Tboil 576.90 K Relay (1.0) Calculated Property
Tc 765.18 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus [295.20; 298.23] K Show Hide
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 297.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
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 1.060 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
η [0.0016233; 0.0050107] Pa×s [303.15; 363.15] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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 Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.19350e+01
Coefficient B1.65904e+00
Coefficient C-8.60800e-04
Coefficient D1.45900e-07
Coefficient E0.00000e+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 Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.60464e+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
Property Value Unit Temperature (K) Source
γ [0.03; 0.02] N/m [295.15; 464.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A5.63236e-02
Coefficient B-8.59000e-05
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.295.15
Temperature range, max.464.15
γ 0.03 N/m 295.15 Calculated Property
γ 0.03 N/m 313.93 Calculated Property
γ 0.03 N/m 332.71 Calculated Property
γ 0.03 N/m 351.48 Calculated Property
γ 0.02 N/m 370.26 Calculated Property
γ 0.02 N/m 389.04 Calculated Property
γ 0.02 N/m 407.82 Calculated Property
γ 0.02 N/m 426.59 Calculated Property
γ 0.02 N/m 445.37 Calculated Property
γ 0.02 N/m 464.15 Calculated Property

Similar Compounds

Docosanoic acid, ethyl ester. Nonadecanoic acid, ethyl ester. ethyl tricosanoate. EICOSANOIC ACID, ETHYL ESTER. ethyl octacosanoate. Pentadecanoic acid, ethyl ester. ethyl octanoate-d15. Octadecanoic acid, ethyl ester. ethyl dotriacontanoate. Nonanoic acid, ethyl ester. ethyl tetratriacontanoate. Dodecanoic acid, ethyl ester. Ethyl henicosanoate. Octanoic acid, ethyl ester. ethyl pentacosanoate.

Find more compounds similar to Hexadecanoic acid, ethyl ester.

Mixtures

Sources

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