Chemical Properties of Isovaleric acid, heptadecyl ester

Isovaleric acid, heptadecyl ester

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InChI
InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)20-21(2)3/h21H,4-20H2,1-3H3
InChI Key
PRIFMYWTZKZMDP-UHFFFAOYSA-N
Formula
C22H44O2
SMILES
CCCCCCCCCCCCCCCCCOC(=O)CC(C)C
Molecular Weight1
340.58
Sources

Physical Properties

Property Value Unit Source
Δf -102.00 kJ/mol Joback Calculated Property
Δfgas -747.49 kJ/mol Joback Calculated Property
Δfus 52.00 kJ/mol Joback Calculated Property
Δvap 73.33 kJ/mol Joback Calculated Property
logPoct/wat 7.45 Crippen Calculated Property
Pc 931.78 kPa Joback Calculated Property
Tboil 778.61 K Joback Calculated Property
Tc 955.90 K Joback Calculated Property
Tfus 394.86 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1031.45 J/mol×K 778.61 Joback Calculated Property
η 0.00 Pa×s 778.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH2- 17
>C=O (nonring) 1
-CH3 3

Similar Compounds

Docosyl, isovalerate. Isovaleric acid, eicosyl ester. Isovaleric acid, pentadecyl ester. Isovaleric acid, dodecyl ester. Isovaleric acid, nonyl ester. Butanoic acid, 3-methyl-, octyl ester. Isovaleric acid, octadecyl ester. Isovaleric acid, nonadecyl ester. Isovaleric acid, tridecyl ester. Isovaleric acid, tetradecyl ester. Isovaleric acid, decyl ester. Isovaleric acid, tetracosyl ester. Isovaleric acid, undecyl ester. Heptyl isopentanoate. Hexyl isovalerate.

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