Chemical Properties of Isovaleric acid, nonyl ester (CAS 7786-47-2)

Isovaleric acid, nonyl ester

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InChI
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
InChI Key
JHKZVDVMXZGMOX-UHFFFAOYSA-N
Formula
C14H28O2
SMILES
CCCCCCCCCOC(=O)CC(C)C
Molecular Weight1
228.37
CAS
7786-47-2
Other Names
  • nonyl isovalerate
Sources

Physical Properties

Property Value Unit Source
Δf -169.36 kJ/mol Joback Calculated Property
Δfgas -582.37 kJ/mol Joback Calculated Property
Δfus 31.28 kJ/mol Joback Calculated Property
Δvap 55.53 kJ/mol Joback Calculated Property
logPoct/wat 4.33 Crippen Calculated Property
Pc 1589.81 kPa Joback Calculated Property
Tboil 595.57 K Joback Calculated Property
Tc 766.26 K Joback Calculated Property
Tfus 304.70 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 567.35 J/mol×K 595.57 Joback Calculated Property
η 0.00 Pa×s 595.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 9
>C=O (nonring) 1
-CH3 3

Similar Compounds

Docosyl, isovalerate. Isovaleric acid, eicosyl ester. Isovaleric acid, pentadecyl ester. Isovaleric acid, dodecyl ester. Butanoic acid, 3-methyl-, octyl ester. Isovaleric acid, octadecyl ester. Isovaleric acid, nonadecyl ester. Isovaleric acid, heptadecyl 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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