Chemical Properties of Benzoic acid, 3-chloro, 1-methylpropyl ester

Benzoic acid, 3-chloro, 1-methylpropyl ester

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InChI
InChI=1S/C11H13ClO2/c1-3-8(2)14-11(13)9-5-4-6-10(12)7-9/h4-8H,3H2,1-2H3
InChI Key
OHLQBFGJSFFDLL-UHFFFAOYSA-N
Formula
C11H13ClO2
SMILES
CCC(C)OC(=O)c1cccc(Cl)c1
Molecular Weight1
212.67
Other Names
  • Benzoic acid, 3-chloro, 1-methylpropyl 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 3.30 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-Methylbutan-2-yl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-pentyl ester. Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester. Benzoic acid, 3-chloro, propyl ester. 3-Methylpentan-3-yl 3-chlorobenzoate. 3,3-Dimethylbutan-2-yl 3-chlorobenzoate. Hexan-3-yl 3-chlorobenzoate. 3-Chlorobenzoic acid, isopropyl ester. Hexan-2-yl 3-chlorobenzoate. 2,4-Dimethylpentan-3-yl 3-chlorobenzoate. 4-Methylpentan-2-yl 3-chlorobenzoate. Butyl 3-chlorobenzoate. Isobutyl 3-chlorobenzoate. But-3-enyl 3-chlorobenzoate. Decan-2-yl 3-chlorobenzoate.

Find more compounds similar to Benzoic acid, 3-chloro, 1-methylpropyl ester.

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