Chemical Properties of Butanoic acid, 3-methyl-, hexyl ester (CAS 10032-13-0)

Butanoic acid, 3-methyl-, hexyl ester

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InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChI Key
RSDDTPVXLMVLQE-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCOC(=O)CC(C)C
Molecular Weight1
186.29
CAS
10032-13-0
Other Names
  • 3-Methylbutanoic acid hexyl ester
  • 3-Methylbutyric acid hexyl ester
  • Hexyl 3-methylbutanoate
  • Hexyl 3-methylbutyrate
  • Hexyl isopentanoate
  • Hexyl isovalerate
  • Isovaleric acid, hexyl ester
  • n-Hexyl iso-valerate
  • n-Hexyl isopentanoate
Sources

Physical Properties

Property Value Unit Source
Δf -194.62 kJ/mol Joback Calculated Property
Δfgas -520.45 kJ/mol Joback Calculated Property
Δfus 23.51 kJ/mol Joback Calculated Property
Δvap 48.85 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 2029.06 kPa Joback Calculated Property
Tboil 526.93 K Joback Calculated Property
Tc 701.19 K Joback Calculated Property
Tfus 270.89 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 415.48 J/mol×K 526.93 Joback Calculated Property
η 0.00 Pa×s 526.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH2- 6
>C=O (nonring) 1
-CH3 3

Similar Compounds

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

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