Chemical Properties of N-Propyl iso-butyrate (CAS 644-49-5)

N-Propyl iso-butyrate

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InChI
InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
InChI Key
AZFUASHXSOTBNU-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCOC(=O)C(C)C
Molecular Weight1
130.18
CAS
644-49-5
Other Names
  • Isobutyric acid n-propyl ester
  • Isobutyric acid, propyl ester
  • Propyl 2-methylpropanoate
  • Propyl isobutanoate
  • Propyl isobutyrate
  • n-Propyl 2-methylpropanoate
  • n-Propyl isobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -228.30 kJ/mol Joback Calculated Property
Δfgas -437.89 kJ/mol Joback Calculated Property
Δfus 13.15 kJ/mol Joback Calculated Property
Δvap 39.94 kJ/mol Joback Calculated Property
logPoct/wat 1.60 Crippen Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Tboil 407.10 ± 0.50 K NIST
Tboil 412.00 ± 2.00 K NIST
Tc 579.40 ± 0.60 K NIST
Tc 589.20 ± 6.00 K NIST
Tfus 225.81 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 238.73 J/mol×K 435.41 Joback Calculated Property
η 0.00 Pa×s 435.41 Joback Calculated Property
ΔvapH 50.50 kJ/mol 337.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 2
-CH3 3
>C=O (nonring) 1

Similar Compounds

Propanoic acid, 2-methyl-, 2-methylpropyl ester. Propanoic acid, 2-methylpropyl ester. Propanoic acid, 2-methyl-, ethyl ester. Propanoic acid, 2-methyl-, butyl ester. n-Propyl pivalate. Propanoic acid, 2-methyl-, anhydride. 1-Propanol, 3-chloro, 2-methylpropanoate. Isobutyl pivalate. Propanoic acid, 2-methyl-, pentyl ester. Iso-amyl iso-butyrate. Propanoic acid, propyl ester. n-Butyl pivalate. Propanoic acid, 2-methyl-, hexyl ester. Propanoic acid, 2,2-dimethyl-, ethyl ester. Propionic acid, 2-methyl-2-hydroxy propyl ester.

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