Chemical Properties of 3-CHLOROPERBENZOIC ACID

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

Other Names

• m-Chloroperbenzoic acid
• Benzenecarboperoxoic acid, 3-chloro-
• m-Chlorobenzoyl hydroperoxide
• m-Chloroperoxybenzoic acid
• Perbenzoic acid, m-chloro-
• Peroxybenzoic acid, m-chloro-
• 3-Chloroperoxybenzoic acid
• UN 2755
• MCPBA
• NSC 97094

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.52; 293.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.05100e+01
Coefficient B			5.16400e-01
Coefficient C			-2.77360e-04
Coefficient D			3.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.52	J/mol×K	273.00	Calculated Property
Cp,gas	170.01	J/mol×K	353.78	Calculated Property
Cp,gas	195.36	J/mol×K	434.56	Calculated Property
Cp,gas	217.68	J/mol×K	515.33	Calculated Property
Cp,gas	237.07	J/mol×K	596.11	Calculated Property
Cp,gas	253.64	J/mol×K	676.89	Calculated Property
Cp,gas	267.51	J/mol×K	757.67	Calculated Property
Cp,gas	278.78	J/mol×K	838.44	Calculated Property
Cp,gas	287.55	J/mol×K	919.22	Calculated Property
Cp,gas	293.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045907; 0.0001205]	Pa×s	[340.66; 552.70]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.48722e+01
Coefficient B			3.23235e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			340.66
Temperature range, max.			552.70
η	0.0045907	Pa×s	340.66	Calculated Property
η	0.0024850	Pa×s	364.22	Calculated Property
η	0.0014493	Pa×s	387.78	Calculated Property
η	0.0008991	Pa×s	411.34	Calculated Property
η	0.0005874	Pa×s	434.90	Calculated Property
η	0.0004009	Pa×s	458.46	Calculated Property
η	0.0002841	Pa×s	482.02	Calculated Property
η	0.0002078	Pa×s	505.58	Calculated Property
η	0.0001563	Pa×s	529.14	Calculated Property
η	0.0001205	Pa×s	552.70	Calculated Property

Similar Compounds

Find more compounds similar to 3-CHLOROPERBENZOIC ACID.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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