Chemical Properties of Isovaleric acid, 8-chlorooctyl ester

Isovaleric acid, 8-chlorooctyl ester

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InChI
InChI=1S/C13H25ClO2/c1-12(2)11-13(15)16-10-8-6-4-3-5-7-9-14/h12H,3-11H2,1-2H3
InChI Key
XJVIXTJLJWCUQN-UHFFFAOYSA-N
Formula
C13H25ClO2
SMILES
CC(C)CC(=O)OCCCCCCCCCl
Molecular Weight1
248.79
Sources

Physical Properties

Property Value Unit Source
Δf -189.71 kJ/mol Joback Calculated Property
Δfgas -577.47 kJ/mol Joback Calculated Property
Δfus 32.89 kJ/mol Joback Calculated Property
Δvap 57.69 kJ/mol Joback Calculated Property
logPoct/wat 4.16 Crippen Calculated Property
Pc 1667.33 kPa Joback Calculated Property
Tboil 610.12 K Joback Calculated Property
Tc 786.44 K Joback Calculated Property
Tfus 323.35 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 548.21 J/mol×K 610.12 Joback Calculated Property
η 0.00 Pa×s 610.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
-CH2- 9
-CH3 2

Similar Compounds

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

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