Chemical Properties of 2-Chlorobenzoic acid, hexyl ester (CAS 97221-93-7)

2-Chlorobenzoic acid, hexyl ester

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InChI
InChI=1S/C13H17ClO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9H,2-4,7,10H2,1H3
InChI Key
LWXVSNHMEABLCY-UHFFFAOYSA-N
Formula
C13H17ClO2
SMILES
CCCCCCOC(=O)c1ccccc1Cl
Molecular Weight1
240.73
CAS
97221-93-7
Other Names
  • Benzoic acid, 2-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

2-Chlorobenzoic acid, heptyl ester. Benzoic acid, 2-chloro, dodecyl ester. 2-Chlorobenzoic acid, octadecyl ester. 2-Chlorobenzoic acid, undecyl ester. 2-Chlorobenzoic acid, octyl ester. 2-Chlorobenzoic acid, pentadecyl ester. 2-Chlorobenzoic acid, tridecyl ester. 2-Chlorobenzoic acid, hexadecyl ester. 2-Chlorobenzoic acid, tetradecyl ester. 2-Chlorobenzoic acid, heptadecyl ester. 2-Chlorobenzoic acid, pentyl ester. Benzoic acid, 2-chloro, butyl ester. 2-Chlorobenzoic acid, dodec-9-ynyl ester. 2-Chlorobenzoic acid, 2-methylpentyl ester. 2-Chlorobenzoic acid, 3-methylbutyl ester.

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