Chemical Properties of Benzoic acid, 3,4-dichloro- (CAS 51-44-5)

Benzoic acid, 3,4-dichloro-

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InChI
InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key
VPHHJAOJUJHJKD-UHFFFAOYSA-N
Formula
C7H4Cl2O2
SMILES
O=C(O)c1ccc(Cl)c(Cl)c1
Molecular Weight1
191.01
CAS
51-44-5
Other Names
  • 3,4-Dichlorobenzoic acid
  • Synstigmine
  • Syntostigmin
  • Vagostigmin
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 2.692 Crippen Calculated Property
Pc 4397.41 kPa Joback Calculated Property
Tboil 617.11 K Joback Calculated Property
Tc 836.94 K Joback Calculated Property
Tfus 477.65 ± 1.00 K NIST
Tfus 477.65 ± 1.00 K NIST
Vc 0.443 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 0.0001051 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, 3-chloro-. 3,5-Dichlorobenzoic acid. Benzaldehyde, 3,4-dichloro-. 3,4-Dichlorobenzyl alcohol. Benzoic acid, 4-chloro-. Benzoic acid, 3,5-dichloro-, methyl ester. 3-Cl-C6H4-COOCH3. P-toluic acid, 3-chloro-. 3-Chloroperbenzoic acid. Benzoic acid, 2,5-dichloro-. Benzoic acid, 3-chloro-, ethyl ester. 3-Chlorobenzoic acid, isopropyl ester. 4-Chlorobenzoic acid methyl ester. 3-Chloro-4-hydroxybenzoic acid. Benzoic acid, 3-chloro, 2-propenyl ester.

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