Chemical Properties of Benzoic acid, 2,5-dichloro- (CAS 50-79-3)

Benzoic acid, 2,5-dichloro-

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InChI
InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key
QVTQYSFCFOGITD-UHFFFAOYSA-N
Formula
C7H4Cl2O2
SMILES
O=C(O)c1cc(Cl)ccc1Cl
Molecular Weight1
191.01
CAS
50-79-3
Other Names
  • 2,5-Dichlorobenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -188.39 kJ/mol Joback Calculated Property
Δfgas -270.51 kJ/mol Joback Calculated Property
Δfus 21.23 kJ/mol Joback Calculated Property
Δvap 66.97 kJ/mol Joback Calculated Property
logPoct/wat 2.69 Crippen Calculated Property
Pc 4397.41 kPa Joback Calculated Property
Tboil 574.20 K NIST
Tc 836.94 K Joback Calculated Property
Tfus 426.65 ± 1.00 K NIST
Tfus 427.65 ± 1.00 K NIST
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 231.22 J/mol×K 617.11 Joback Calculated Property
η 0.00 Pa×s 617.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-OH (alcohol) 1
>C=O (nonring) 1
-Cl 2
=CH- (ring) 3

Similar Compounds

Benzoic acid, 2-chloro-. 2,3,6-Trichlorobenzoic acid. Ethyl-2,5-dichlorobenzoate. Benzoic acid, 2,6-dichloro-. 2,4-Dichlorobenzoic acid. Chlorthal. P-toluic acid, 3-chloro-. Benzoic acid, 3-chloro-. 6-Chlorobenzoic acid, methyl ester. 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester. Benzoic acid, 2,4,6-trichloro-. Benzoic acid, 2,3,6-trichloro-, methyl ester. 3,5-Dichlorobenzoic acid. 2,5-Dichlorobenzyl alcohol. 2-Chloro-3-methylbenzoic acid.

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