Chemical Properties of Benzoic acid, 3-chloro- (CAS 535-80-8)

Benzoic acid, 3-chloro-

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InChI
InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChI Key
LULAYUGMBFYYEX-UHFFFAOYSA-N
Formula
C7H5ClO2
SMILES
O=C(O)c1cccc(Cl)c1
Molecular Weight1
156.57
CAS
535-80-8
Other Names
  • 3-Chlorobenzoic acid
  • Acido m-clorobenzoico
  • Benzoic acid, m-chloro-
  • m-Chlorobenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3009.65 ± 0.57 kJ/mol NIST
Δcsolid -3068.10 ± 1.50 kJ/mol NIST
Δcsolid -3069.40 ± 8.40 kJ/mol NIST
Δf -166.83 kJ/mol Joback Calculated Property
Δfgas -321.80 ± 0.90 kJ/mol NIST
Δfsolid -423.20 ± 0.80 kJ/mol NIST
Δfsolid -424.60 ± 1.60 kJ/mol NIST
Δfus 17.42 kJ/mol Joback Calculated Property
Δsub [101.40; 105.80] kJ/mol Show Hide
Δsub 102.50 ± 0.50 kJ/mol NIST
Δsub 101.40 ± 0.40 kJ/mol NIST
Δsub 101.40 ± 0.40 kJ/mol NIST
Δsub 105.80 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 427.40 ± 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 163.60 J/mol×K 298.0 NIST
η 0.0001256 Pa×s 574.7 Joback Calculated Property
ΔfusH [22.00; 23.85] kJ/mol [427.40; 427.90] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 23.85 kJ/mol 427.4 NIST
ΔfusH 23.85 kJ/mol 427.4 NIST
ΔfusH 23.85 kJ/mol 427.4 NIST
ΔfusH 22.00 kJ/mol 427.8 NIST
ΔfusH 22.00 kJ/mol 427.83 NIST
ΔfusH 23.67 kJ/mol 427.9 NIST
ΔsubH 81.00 ± 2.00 kJ/mol 328.0 NIST
ΔsubH 101.20 ± 0.40 kJ/mol 330.0 NIST
ΔsubH 99.60 kJ/mol 413.0 NIST
ΔfusS 55.80 J/mol×K 427.4 NIST

Molecular Descriptors

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

Similar Compounds

3,5-Dichlorobenzoic acid. 3-Cl-C6H4-COOCH3. 3-Chloroperbenzoic acid. Benzoic acid, 3,4-dichloro-. P-toluic acid, 3-chloro-. Benzoic acid, 3,5-dichloro-, methyl ester. Benzoic acid, 3-chloro-, ethyl ester. Benzoic acid, 2,5-dichloro-. 3-Chloro-4-fluorobenzoic acid. Benzaldehyde, 3-chloro-. Benzoic acid, 3-chloro, 2-propenyl ester. 3-Chloro-4-hydroxybenzoic acid. 3-Chlorobenzoic acid, isopropyl ester. Benzoic acid, 3-chloro, propyl ester. Prop-2-ynyl 3-chlorobenzoate.

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