Chemical Properties of 2-Chlorobenzoic acid, undecyl ester (CAS 97221-96-0)

2-Chlorobenzoic acid, undecyl ester

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InChI
InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3
InChI Key
LZZUEDTUAJZZBG-UHFFFAOYSA-N
Formula
C18H27ClO2
SMILES
CCCCCCCCCCCOC(=O)c1ccccc1Cl
Molecular Weight1
310.86
CAS
97221-96-0
Other Names
  • Benzoic acid, 2-chloro, undecyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -42.39 kJ/mol Joback Calculated Property
Δfgas -450.33 kJ/mol Joback Calculated Property
Δfus 43.01 kJ/mol Joback Calculated Property
Δvap 72.14 kJ/mol Joback Calculated Property
logPoct/wat 6.03 Crippen Calculated Property
Pc 1455.68 kPa Joback Calculated Property
Tboil 756.62 K Joback Calculated Property
Tc 953.54 K Joback Calculated Property
Tfus 433.64 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 741.39 J/mol×K 756.62 Joback Calculated Property
η 0.00 Pa×s 756.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
-CH3 1
>C=O (nonring) 1

Similar Compounds

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

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