Chemical Properties of Elaidic acid, butyl ester (CAS 22147-33-7)

Elaidic acid, butyl ester

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InChI
InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
InChI Key
WIBFFTLQMKKBLZ-SEYXRHQNSA-N
Formula
C22H42O2
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCCC
Molecular Weight1
338.57
CAS
22147-33-7
Other Names
  • (E)-9-Octadecenoic acid butyl ester
Sources

Physical Properties

Property Value Unit Source
Δcliquid -13836.00 ± 14.00 kJ/mol NIST
Δf -19.34 kJ/mol Joback Calculated Property
Δfgas -624.99 kJ/mol Joback Calculated Property
Δfus 55.73 kJ/mol Joback Calculated Property
Δvap 73.68 kJ/mol Joback Calculated Property
logPoct/wat 7.37 Crippen Calculated Property
Pc 957.32 kPa Joback Calculated Property
Tboil 783.21 K Joback Calculated Property
Tc 962.10 K Joback Calculated Property
Tfus 404.78 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1006.83 J/mol×K 783.21 Joback Calculated Property
η 0.00 Pa×s 783.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 17
>C=O (nonring) 1
=CH- 2
-CH3 2

Similar Compounds

9-Octadecenoic acid, butyl ester. Oleic acid, butyl ester. Octadec-9-enoic acid dodecyl ester, Z. Octadec-9-enoic acid hexadec-7-enyl ester, Z,Z. Hexadec-9-enoic acid hexadec-7-enyl ester, Z,Z. (Z)-Hexadec-11-en-1-yl nonanoate. Tetradec-9-enoic acid icosyl ester, Z. Tetradec-9-enoic acid tetradec-9-enyl ester, Z,Z. Tetradec-9-enoic acid octadecyl ester, Z. Octadec-9-enoic acid docosyl ester, Z. Tetradecanoic acid octadec-9-enyl ester, Z. Sebacic acid, butyl cis-11-tetradecenyl ester. Dodecanoic acid tetradec-9-enyl ester, Z. 9-Hexadecenoic acid, eicosyl ester, (Z)-. Sebacic acid, cis-11-tetradecenyl propyl ester.

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