Chemical Properties of Benzoic acid, 3-chloro, hexyl ester

Benzoic acid, 3-chloro, hexyl ester

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InChI
InChI=1S/C13H17ClO2/c1-2-3-4-5-9-16-13(15)11-7-6-8-12(14)10-11/h6-8,10H,2-5,9H2,1H3
InChI Key
WIOHDOZCKINPRO-UHFFFAOYSA-N
Formula
C13H17ClO2
SMILES
CCCCCCOC(=O)c1cccc(Cl)c1
Molecular Weight1
240.73
Other Names
  • Benzoic acid, 3-chloro, hexyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -84.49 kJ/mol Joback Calculated Property
Δfgas -347.13 kJ/mol Joback Calculated Property
Δfus 30.06 kJ/mol Joback Calculated Property
Δvap 61.01 kJ/mol Joback Calculated Property
logPoct/wat 4.08 Crippen Calculated Property
Pc 2181.56 kPa Joback Calculated Property
Tboil 642.22 K Joback Calculated Property
Tc 849.84 K Joback Calculated Property
Tfus 377.29 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 471.36 J/mol×K 642.22 Joback Calculated Property
η 0.00 Pa×s 642.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
-CH3 1
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 3-chloro, decyl ester. Benzoic acid, 3-chloro, nonyl ester. Benzoic acid, 3-chloro, undecyl ester. Dodecyl 3-chlorobenzoate. Tetradecyl 3-chlorobenzoate. Benzoic acid, 3-chloro, pentyl ester. 1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-. 3-Chlorobenzoic acid, 6-chlorohexyl ester. 10-Chlorodecyl 3-chlorobenzoate. Butyl 3-chlorobenzoate. 2-Methylpentyl 3-chlorobenzoate. Benzoic acid, 3-chloro, 3-methylbutyl ester. Pent-4-enyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-methylbutyl ester. Benzoic acid, 3-chloro, propyl ester.

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