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

Hexadecanoic acid, ethyl ester

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

Physical Properties

Property Value Unit Source
Δcliquid -11368.00 ± 1.00 kJ/mol NIST
Δf -133.24 kJ/mol Joback Calculated Property
Δfgas -659.65 kJ/mol Joback Calculated Property
Δfus 45.16 kJ/mol Joback Calculated Property
Δvap 64.82 kJ/mol Joback Calculated Property
logPoct/wat 6.03 Crippen Calculated Property
Pc 1189.06 kPa Joback Calculated Property
Tboil 465.70 K NIST
Tboil 464.20 K NIST
Tc 855.83 K Joback Calculated Property
Tfus [295.20; 298.20] K Show Hide
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 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 789.92 J/mol×K 687.53 Joback Calculated Property
η 0.00 Pa×s 687.53 Joback Calculated Property
ΔfusH [15.09; 53.14] kJ/mol [296.00; 296.40] Show Hide
ΔfusH 53.14 kJ/mol 296.0 NIST
ΔfusH 15.09 kJ/mol 296.35 NIST
ΔfusH 15.09 kJ/mol 296.4 NIST
ΔfusH 15.09 kJ/mol 296.4 NIST
ΔsubH 150.80 kJ/mol 290.0 NIST
ΔvapH 100.70 kJ/mol 308.0 NIST
ΔvapH 73.90 kJ/mol 447.5 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 15
>C=O (nonring) 1
-CH3 2

Similar Compounds

Ethyl henicosanoate. Octadecanoic acid, ethyl ester. Decanedioic acid, diethyl ester. ethyl nonacosanoate. Undecanoic acid, ethyl ester. Dodecanoic acid, ethyl ester. ethyl hentriacontanoate. Diethyl azelate. ethyl tetratriacontanoate. ethyl dotriacontanoate. ethyl tritriacontanoate. Ethyl heptadecanoate. Decanoic acid, ethyl ester. Diethyl suberate. Diethyl icosanedioate.

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