Chemical Properties of 3-Chloroperbenzoic acid (CAS 937-14-4)

3-Chloroperbenzoic acid

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InChI
InChI=1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H
InChI Key
NHQDETIJWKXCTC-UHFFFAOYSA-N
Formula
C7H5ClO3
SMILES
O=C(OO)c1cccc(Cl)c1
Molecular Weight1
172.57
CAS
937-14-4
Other Names
  • 3-Chloroperoxybenzoic acid
  • Benzenecarboperoxoic acid, 3-chloro-
  • MCPBA
  • NSC 97094
  • Perbenzoic acid, m-chloro-
  • Peroxybenzoic acid, m-chloro-
  • UN 2755
  • m-Chlorobenzoyl hydroperoxide
  • m-Chloroperbenzoic acid
  • m-Chloroperoxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -271.83 kJ/mol Joback Calculated Property
Δfgas -375.52 kJ/mol Joback Calculated Property
Δfus 18.61 kJ/mol Joback Calculated Property
Δvap 64.33 kJ/mol Joback Calculated Property
logPoct/wat 1.970 Crippen Calculated Property
Pc 4608.87 kPa Joback Calculated Property
Tboil 597.12 K Joback Calculated Property
Tc 809.71 K Joback Calculated Property
Tfus 370.49 K Joback Calculated Property
Vc 0.411 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 234.09 J/mol×K 597.12 Joback Calculated Property
η 0.0000944 Pa×s 597.12 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3-chloro-. 3,5-Dichlorobenzoic acid. 3-Cl-C6H4-COOCH3. P-toluic acid, 3-chloro-. Benzoic acid, 3,4-dichloro-. Benzoic acid, 3,5-dichloro-, methyl ester. Benzoic acid, 3-chloro-, ethyl ester. 3-Chloro-4-fluorobenzoic acid. Benzoic acid, 2,5-dichloro-. 3-Chlorobenzoic acid, isopropyl ester. Benzoic acid, 3-chloro, 2-propenyl ester. Benzoic acid, 3-chloro, propyl ester. 2-Bromo-5-chlorobenzoic acid. 3-Chloro-4-hydroxybenzoic acid. 3-Chlorobenzoic acid, 2-methoxyethyl ester.

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