Chemical Properties of Propanoic acid, 2-methyl-, hexyl ester (CAS 2349-07-7)

Propanoic acid, 2-methyl-, hexyl ester

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InChI
InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
InChI Key
CYHBDKTZDLSRMY-UHFFFAOYSA-N
Formula
C10H20O2
SMILES
CCCCCCOC(=O)C(C)C
Molecular Weight1
172.26
CAS
2349-07-7
Other Names
  • 1-Hexyl isobutyrate
  • Hexyl 2-methylpropanoate
  • Hexyl 2-methylpropionate
  • Hexyl isobutanoate
  • Hexyl isobutyrate
  • Isobutyric acid, hexyl ester
  • NSC 46108
  • n-Hexyl isobutanoate
  • n-Hexyl isobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -203.04 kJ/mol Joback Calculated Property
Δfgas -499.81 kJ/mol Joback Calculated Property
Δfus 20.92 kJ/mol Joback Calculated Property
Δvap 46.62 kJ/mol Joback Calculated Property
logPoct/wat 2.77 Crippen Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Tboil 472.00 ± 3.00 K NIST
Tc 679.81 K Joback Calculated Property
Tfus 259.62 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.31 J/mol×K 504.05 Joback Calculated Property
η 0.00 Pa×s 504.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 5
>C=O (nonring) 1
-CH3 3

Similar Compounds

Propanoic acid, 2-methyl-, heptyl ester. Propanoic acid, 2-methyl-, nonyl ester. Eicosyl isobutyrate. Propanoic acid, 2-methyl-, octyl ester. Propanoic acid, 2-methyl-, decyl ester. Propanoic acid, 2-methyl-, pentyl ester. 4-methylpentyl isobutyrate. Propanoic acid, 2,2-dimethyl-, hexyl ester. 4-Methylhexyl isobutyrate. Propanoic acid, 2-methyl-, butyl ester. Propanoic acid, 2,2-dimethyl-, heptyl ester. Propanoic acid, hexyl ester. Propanoic acid, 2,2-dimethyl-, pentyl ester. Isobutyric acid, 8-chlorooctyl ester. 10,14-Dimethylpentadecyl isobutyrate.

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