Chemical Properties of Propanoic acid, 2-methyl-, octyl ester (CAS 109-15-9)

Propanoic acid, 2-methyl-, octyl ester

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InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
InChI Key
PQCYCHFQWMNQRJ-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCCCCCCCOC(=O)C(C)C
Molecular Weight1
200.32
CAS
109-15-9
Other Names
  • Caprylyl isobutyrate
  • ENT 24265
  • Isobutyric acid, octyl ester
  • Octyl Isobutyrate
  • Octyl isobutanoate
  • n-Octyl isobutyrate
  • octyl 2-methyl propanoate
Sources

Physical Properties

Property Value Unit Source
Δf -186.20 kJ/mol Joback Calculated Property
Δfgas -541.09 kJ/mol Joback Calculated Property
Δfus 26.10 kJ/mol Joback Calculated Property
Δvap 51.07 kJ/mol Joback Calculated Property
logPoct/wat 3.55 Crippen Calculated Property
Pc 1864.33 kPa Joback Calculated Property
Tboil 549.81 K Joback Calculated Property
Tc 722.69 K Joback Calculated Property
Tfus 282.16 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 464.44 J/mol×K 549.81 Joback Calculated Property
η 0.00 Pa×s 549.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH2- 7
>C=O (nonring) 1
-CH3 3

Similar Compounds

Propanoic acid, 2-methyl-, decyl ester. Eicosyl isobutyrate. Propanoic acid, 2-methyl-, nonyl ester. Propanoic acid, 2-methyl-, heptyl ester. Propanoic acid, 2-methyl-, hexyl ester. Propanoic acid, 2-methyl-, pentyl ester. 10,14-Dimethylpentadecyl isobutyrate. Isobutyric acid, 8-chlorooctyl ester. Propanoic acid, 2,2-dimethyl-, heptyl ester. 4-methylpentyl isobutyrate. Propanoic acid, tetradecyl ester. Propanoic acid, decyl ester. 1-Docosanol, propanoate. Dodecyl propionate. Eicosanyl propionate.

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