Chemical Properties of P-toluic acid, 3-chloro- (CAS 5162-82-3)

P-toluic acid, 3-chloro-

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InChI
InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key
SDKUOEOJAXGCLU-UHFFFAOYSA-N
Formula
C8H7ClO2
SMILES
Cc1ccc(C(=O)O)cc1Cl
Molecular Weight1
170.59
CAS
5162-82-3
Other Names
  • 3-Chloro-4-methylbenzoic acid
  • 3-Chloro-p-toluic acid
  • Benzoic acid, 3-chloro-4-methyl-
Sources

Physical Properties

Property Value Unit Source
Δf -168.04 kJ/mol Joback Calculated Property
Δfgas -275.41 kJ/mol Joback Calculated Property
Δfus 19.62 kJ/mol Joback Calculated Property
Δvap 64.81 kJ/mol Joback Calculated Property
logPoct/wat 2.35 Crippen Calculated Property
Pc 4072.51 kPa Joback Calculated Property
Tboil 602.56 K Joback Calculated Property
Tc 814.98 K Joback Calculated Property
Tfus 372.05 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 256.09 J/mol×K 602.56 Joback Calculated Property
η 0.00 Pa×s 602.56 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
-CH3 1
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 3-chloro-. 3-Chloro-4-methylbenzyl alcohol. 3,5-Dichlorobenzoic acid. Benzoic acid, 2,5-dichloro-. 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester. Benzoic acid, 3,4-dichloro-. 3-Chloroperbenzoic acid. 3-Cl-C6H4-COOCH3. Benzoic acid, 3-chloro-, ethyl ester. Chlorthal. Benzoic acid, 2-chloro-. 3-Chlorobenzoic acid, isopropyl ester. Benzoic acid, 3,5-dichloro-, methyl ester. Benzoic acid, 3-chloro, 2-propenyl ester. 3-Chlorobenzoic acid, 2-methoxyethyl ester.

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