Chemical Properties of Benzoic acid, 1-methylethyl ester (CAS 939-48-0)

Benzoic acid, 1-methylethyl ester

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InChI Key
Molecular Weight1
Other Names
  • Benzoic acid, isopropyl ester
  • Isopropyl benzoate
  • Isopropylester kyseliny benzoove

Physical Properties

Property Value Unit Source
Δf -90.63 kJ/mol Joback Calculated Property
Δfgas -263.28 kJ/mol Joback Calculated Property
Δfus 14.96 kJ/mol Joback Calculated Property
Δvap 48.90 kJ/mol Joback Calculated Property
logPoct/wat 2.25 Crippen Calculated Property
Pc 3110.57 kPa Joback Calculated Property
Tboil [491.00; 491.65] K Show Hide
Tboil 491.20 K NIST
Tboil 491.00 K NIST
Tboil 491.50 ± 0.50 K NIST
Tboil 491.65 ± 1.00 K NIST
Tc 748.19 K Joback Calculated Property
Tfus 286.04 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 300.78 J/mol×K 530.73 Joback Calculated Property
η 0.00 Pa×s 530.73 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 5
=C< (ring) 1
>C=O (nonring) 1

Similar Compounds

Benzoic acid 1,1-dimethylethyl ester. Benzoic acid, ethyl ester. 3-Buten-2-ol, benzoate. Benzoic acid, 1-methylpropyl ester. n-Propyl benzoate. 2-Monobenzoylglycerol. ETHYL 4-METHYLBENZOATE. 1,2-Ethanediol, monobenzoate. Benzoic acid, 2-propenyl ester. Benzoic acid 2-bromoethyl ester. 2-Propyn-1-ol, benzoate. Benzoic acid, 3-hydroxypropyl ester. 1-Methyl-2-methoxyethyl benzoate. Benzoic acid, 4-chloro-, 1-methylethyl ester. 2-Chloroethyl benzoate.

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