Chemical Properties of Alpha-stearoyl stearic acid, methyl ester (CAS 10126-69-9)

Alpha-stearoyl stearic acid, methyl ester

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InChI
InChI=1S/C37H72O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(38)35(37(39)40-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3
InChI Key
QSOSUDRRPSNGFF-UHFFFAOYSA-N
Formula
C37H72O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)C(=O)OC
Molecular Weight1
564.97
CAS
10126-69-9
Sources

Physical Properties

Property Value Unit Source
Δf -104.62 kJ/mol Joback Calculated Property
Δfgas -1169.67 kJ/mol Joback Calculated Property
Δfus 92.45 kJ/mol Joback Calculated Property
Δvap 113.47 kJ/mol Joback Calculated Property
logPoct/wat 12.48 Crippen Calculated Property
Pc 461.89 kPa Joback Calculated Property
Tboil 1175.68 K Joback Calculated Property
Tc 1563.75 K Joback Calculated Property
Tfus 613.84 K Joback Calculated Property
Vc 2.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 2041.16 J/mol×K 1175.68 Joback Calculated Property
η 0.00 Pa×s 1175.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 31
-CH3 3
>C=O (nonring) 2

Similar Compounds

Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester. Heptanoic acid, 2-acetyl-, ethyl ester. Cyclopentanecarboxylic acid, 2-oxo-, methyl ester. Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester. Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester. 3-Methyl-2-methoxycarbonylcyclopentanone. Diethyl 2-acetylglutarate. Heptanoic acid, 2-propyl-, methyl ester. Dimethyl-2-ethylsuberate. Heptanoic acid, 2-ethyl-, methyl ester. Octanoic acid, 2-ethyl, methyl ester. Methyl cycloundecanecarboxylate. Cyclohexanone--2-carboxylic acid, benzyl ester. Butanoic acid, 2-ethyl-3-oxo-, ethyl ester. Hexanoic acid, 2-butyl-, methyl ester.

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