Chemical Properties of Benzoic acid, 2-chloro- (CAS 118-91-2)

Benzoic acid, 2-chloro-

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InChI
InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChI Key
IKCLCGXPQILATA-UHFFFAOYSA-N
Formula
C7H5ClO2
SMILES
O=C(O)c1ccccc1Cl
Molecular Weight1
156.57
CAS
118-91-2
Other Names
  • 2-CBA
  • 2-Chlorobenzoic acid
  • Benzoic acid, o-chloro-
  • Chlorobenzoic acid
  • Kyselina o-chlorbenzoova
  • o-Chlorobenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-3094.10; -3073.10] kJ/mol Show Hide
Δcsolid -3087.76 ± 0.25 kJ/mol NIST
Δcsolid -3073.10 ± 4.60 kJ/mol NIST
Δcsolid -3087.91 ± 0.69 kJ/mol NIST
Δcsolid -3094.10 ± 8.40 kJ/mol NIST
Δf -166.83 kJ/mol Joback Calculated Property
Δfgas -304.20 ± 0.70 kJ/mol NIST
Δfsolid -405.10 ± 0.50 kJ/mol NIST
Δfsolid -404.83 ± 0.74 kJ/mol NIST
Δfus 17.42 kJ/mol Joback Calculated Property
Δsub 106.30 ± 0.50 kJ/mol NIST
Δsub 100.90 ± 0.50 kJ/mol NIST
Δsub 100.90 ± 0.50 kJ/mol NIST
Δvap 61.92 kJ/mol Joback Calculated Property
logPoct/wat 2.038 Crippen Calculated Property
Pc 4717.12 kPa Joback Calculated Property
Tboil 574.70 K Joback Calculated Property
Tc 789.74 K Joback Calculated Property
Tfus 413.40 ± 0.30 K NIST
Vc 0.394 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 213.61 J/mol×K 574.7 Joback Calculated Property
Cp,solid 163.20 J/mol×K 298.0 NIST
η 0.0001256 Pa×s 574.7 Joback Calculated Property
ΔfusH [25.25; 26.30] kJ/mol [413.40; 414.10] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 25.73 kJ/mol 413.4 NIST
ΔfusH 25.73 kJ/mol 413.4 NIST
ΔfusH 25.73 kJ/mol 413.4 NIST
ΔfusH 25.25 kJ/mol 414.0 NIST
ΔfusH 26.30 kJ/mol 414.0 NIST
ΔfusH 26.29 kJ/mol 414.1 NIST
ΔsubH 105.00 ± 0.40 kJ/mol 329.5 NIST
ΔsubH 79.00 ± 2.00 kJ/mol 333.0 NIST
ΔfusS 62.20 J/mol×K 413.4 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-OH (alcohol) 1
>C=O (nonring) 1
-Cl 1
=CH- (ring) 4

Similar Compounds

Benzoic acid, 2,6-dichloro-. 2,4-Dichlorobenzoic acid. Benzoic acid, 2,5-dichloro-. 6-Chlorobenzoic acid, methyl ester. Benzoic acid, 2,4,6-trichloro-. 2-Chloro-3-methylbenzoic acid. 4-Bromo-2-chlorobenzoic acid. 2-Chloro-4-fluorobenzoic acid. Ethyl-2-chlorobenzoate. Benzoic acid, 4-amino-2-chloro-. Benzoic acid, 2,4-dichloro-, methyl ester. 5-Bromo-2-chlorobenzoic acid. 2-Chloro-5-iodobenzoic acid. 2-Chlorobenzoic acid, allyl ester. Benzoic acid, 2-chloro, propyl ester.

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