Chemical Properties of Propanoic acid, 2-methyl-, pentyl ester (CAS 2445-72-9)

Propanoic acid, 2-methyl-, pentyl ester

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InChI
InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
InChI Key
UYGGIIOLYXRSQY-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CCCCCOC(=O)C(C)C
Molecular Weight1
158.24
CAS
2445-72-9
Other Names
  • 1-Pentyl isobutyrate
  • Amyl isobutyrate
  • Isobutyric acid, pentyl ester
  • N-Amyl iso-butyrate
  • Penthyl iso-butyrate
  • Pentyl isobutanoate
  • Pentyl isobutyrate
  • n-Pentyl isobutyrate
  • pentyl 2-methylpropanoate
Sources

Physical Properties

Property Value Unit Source
Δf -211.46 kJ/mol Joback Calculated Property
Δfgas -479.17 kJ/mol Joback Calculated Property
Δfus 18.33 kJ/mol Joback Calculated Property
Δvap 44.40 kJ/mol Joback Calculated Property
logPoct/wat 2.38 Crippen Calculated Property
Pc 2431.44 kPa Joback Calculated Property
Tboil 416.00 ± 2.00 K NIST
Tc 658.49 K Joback Calculated Property
Tfus 248.35 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 323.06 J/mol×K 481.17 Joback Calculated Property
η 0.00 Pa×s 481.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 4
>C=O (nonring) 1
-CH3 3

Similar Compounds

Propanoic acid, 2-methyl-, hexyl ester. 4-methylpentyl isobutyrate. Propanoic acid, 2-methyl-, butyl ester. Propanoic acid, 2-methyl-, heptyl ester. Eicosyl isobutyrate. Propanoic acid, 2-methyl-, decyl ester. Propanoic acid, 2-methyl-, nonyl ester. Propanoic acid, 2-methyl-, octyl ester. Propanoic acid, 2,2-dimethyl-, pentyl ester. Propanoic acid, 2,2-dimethyl-, hexyl ester. Iso-amyl iso-butyrate. 4-Methylhexyl isobutyrate. Isobutyric acid, 2-methylpentyl ester. Amyl propionate. Butanoic acid, 2-methyl-, pentyl ester.

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