Chemical Properties of Propanoic acid, 2,2-dimethyl-, heptyl ester (CAS 17660-61-6)

Propanoic acid, 2,2-dimethyl-, heptyl ester

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InChI
InChI=1S/C12H24O2/c1-5-6-7-8-9-10-14-11(13)12(2,3)4/h5-10H2,1-4H3
InChI Key
VJQPQMJCZDBCEQ-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCCCCCCOC(=O)C(C)(C)C
Molecular Weight1
200.32
CAS
17660-61-6
Other Names
  • Heptyl pivalate
Sources

Physical Properties

Property Value Unit Source
Δf -180.92 kJ/mol Joback Calculated Property
Δfgas -544.56 kJ/mol Joback Calculated Property
Δfus 22.21 kJ/mol Joback Calculated Property
Δvap 50.17 kJ/mol Joback Calculated Property
logPoct/wat 3.55 Crippen Calculated Property
Pc 1882.17 kPa Joback Calculated Property
Tboil 547.02 K Joback Calculated Property
Tc 725.77 K Joback Calculated Property
Tfus 299.58 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 467.06 J/mol×K 547.02 Joback Calculated Property
η 0.00 Pa×s 547.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 6
>C=O (nonring) 1
>C< 1
-CH3 4

Similar Compounds

Propanoic acid, 2,2-dimethyl-, hexyl ester. Propanoic acid, 2,2-dimethyl-, pentyl ester. Propanoic acid, 2-methyl-, heptyl ester. Propanoic acid, 2-methyl-, decyl ester. Eicosyl isobutyrate. Propanoic acid, 2-methyl-, octyl ester. Propanoic acid, 2-methyl-, nonyl ester. Propanoic acid, 2-methyl-, hexyl ester. n-Butyl pivalate. Propanoic acid, 2-methyl-, pentyl ester. Isobutyric acid, 8-chlorooctyl ester. 10,14-Dimethylpentadecyl isobutyrate. Butanoic acid, 2-methyl-, heptyl ester. 4-methylpentyl isobutyrate. Nonyl 2-methylbutanoate.

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