Chemical Properties of Isobutyl 3-chlorobenzoate

Isobutyl 3-chlorobenzoate

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InChI
InChI=1S/C11H13ClO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChI Key
DLJDIYXFPGOEBR-UHFFFAOYSA-N
Formula
C11H13ClO2
SMILES
CC(C)COC(=O)c1cccc(Cl)c1
Molecular Weight1
212.67
Other Names
  • Benzoic acid, 3-chloro, isobutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -103.77 kJ/mol Joback Calculated Property
Δfgas -311.13 kJ/mol Joback Calculated Property
Δfus 21.36 kJ/mol Joback Calculated Property
Δvap 56.17 kJ/mol Joback Calculated Property
logPoct/wat 3.15 Crippen Calculated Property
Pc 2654.29 kPa Joback Calculated Property
Tboil 596.02 K Joback Calculated Property
Tc 814.94 K Joback Calculated Property
Tfus 339.75 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 373.26 J/mol×K 596.02 Joback Calculated Property
η 0.00 Pa×s 596.02 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Chlorobenzoic acid, neopentyl ester. Benzoic acid, 3-chloro, propyl ester. 3-Chlorobenzoic acid, 2-methylbutyl ester. Butyl 3-chlorobenzoate. But-3-enyl 3-chlorobenzoate. 3-Methylbutan-2-yl 3-chlorobenzoate. 2-Methylpentyl 3-chlorobenzoate. Benzoic acid, 3-chloro, 3-methylbutyl ester. Benzoic acid, 3-chloro, pentyl ester. Pent-4-enyl 3-chlorobenzoate. Benzoic acid, 3-chloro, hexyl ester. Benzoic acid, 3-chloro-, ethyl ester. 1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-. Benzoic acid, 3-chloro, 1-methylpropyl ester. Benzoic acid, 3-chloro, decyl ester.

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