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

Benzoic acid, 1-methylethyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key
FEXQDZTYJVXMOS-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CC(C)OC(=O)c1ccccc1
Molecular Weight1
164.20
CAS
939-48-0
Other Names
  • Benzoic acid, isopropyl ester
  • Isopropyl benzoate
  • Isopropylester kyseliny benzoove
Sources

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.

Find more compounds similar to Benzoic acid, 1-methylethyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.