Chemical Properties of 2-Chlorobenzoic acid, 3-methylbutyl ester (CAS 97989-31-6)

2-Chlorobenzoic acid, 3-methylbutyl ester

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InChI
InChI=1S/C12H15ClO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3
InChI Key
MPUGTFANXARAQE-UHFFFAOYSA-N
Formula
C12H15ClO2
SMILES
CC(C)CCOC(=O)c1ccccc1Cl
Molecular Weight1
226.70
CAS
97989-31-6
Other Names
  • Bennzoic acid, 2-chloro, 3-methylbutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -95.35 kJ/mol Joback Calculated Property
Δfgas -331.77 kJ/mol Joback Calculated Property
Δfus 23.95 kJ/mol Joback Calculated Property
Δvap 58.40 kJ/mol Joback Calculated Property
logPoct/wat 3.54 Crippen Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Tboil 618.90 K Joback Calculated Property
Tc 834.03 K Joback Calculated Property
Tfus 351.02 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 421.78 J/mol×K 618.9 Joback Calculated Property
η 0.00 Pa×s 618.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-CH3 2
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 2-chloro, butyl ester. Benzoic acid, 2-chloro, 4-pentenyl ester. 2-Chlorobenzoic acid, pentyl ester. Benzoic acid, 2-chloro, propyl ester. 2-Chlorobenzoic acid, hexyl ester. 2-Chlorobenzoic acid, heptyl ester. 2-Chlorobenzoic acid, tetradecyl ester. Benzoic acid, 2-chloro, dodecyl ester. 2-Chlorobenzoic acid, tridecyl ester. 2-Chlorobenzoic acid, undecyl ester. 2-Chlorobenzoic acid, octyl ester. 2-Chlorobenzoic acid, hexadecyl ester. 2-Chlorobenzoic acid, octadecyl ester. 2-Chlorobenzoic acid, pentadecyl ester. 2-Chlorobenzoic acid, heptadecyl ester.

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