Chemical Properties of Propanoic acid, 2-methyl-, 1-methylethyl ester (CAS 617-50-5)

Propanoic acid, 2-methyl-, 1-methylethyl ester

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InChI
InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
InChI Key
WVRPFQGZHKZCEB-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CC(C)OC(=O)C(C)C
Molecular Weight1
130.18
CAS
617-50-5
Other Names
  • Isobutyric acid, isopropyl ester
  • Isopropyl 2-methylpropanoate
  • Isopropyl isobutanoate
  • Isopropyl isobutyrate
  • UN 2406
  • iso-C3H7C(O)OCH(CH3)2
Sources

Physical Properties

Property Value Unit Source
Δf -230.74 kJ/mol Joback Calculated Property
Δfgas -443.17 kJ/mol Joback Calculated Property
Δfus 9.63 kJ/mol Joback Calculated Property
Δvap 39.56 kJ/mol Joback Calculated Property
logPoct/wat 1.59 Crippen Calculated Property
Pc 2992.59 kPa Joback Calculated Property
Tboil 393.90 K NIST
Tc 619.42 K Joback Calculated Property
Tfus 210.81 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 238.81 J/mol×K 434.97 Joback Calculated Property
η 0.00 Pa×s 434.97 Joback Calculated Property
ΔvapH 43.30 kJ/mol 325.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
>C=O (nonring) 1
-CH3 4

Similar Compounds

Isobutyric acid, tert-butyl ester. Isopropyl pivalate. Isopropyl propionate. Propanoic acid, 2-methyl-, ethyl ester. Propanoic acid, 2-methyl-, 1-methylpropyl ester. Propanoic acid, 2,2-dimethyl, 1,1-dimethylethyl ester. Propanoic acid, 1,1-dimethylethyl ester. Butanoic acid, 2-methyl-, 1-methylethyl ester. N-Propyl iso-butyrate. Propanoic acid, 2,2-dimethyl, 1-methylpropyl ester. Propanoic acid, 2,2-dimethyl-, ethyl ester. Propanoic acid, 2-methyl-, 1-methylbutyl ester. Propanoic acid, 2-methyl-, 2-methylpropyl ester. Isopropyl 2-ethylbutyrate. Butanoic acid, 1-methylethyl ester.

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