Chemical Properties of 3-Chlorodiphenylamine (CAS 101-17-7)

InChI

InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H

InChI Key

OHHIBZKYXJDQEU-UHFFFAOYSA-N

Formula

C12H10ClN

SMILES

Clc1cccc(Nc2ccccc2)c1

Molecular Weight¹

203.67

CAS

101-17-7

Other Names

• Benzenamine, 3-chloro-N-phenyl-
• Diphenylamine, 3-chloro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4829		Relay (1.0) Calculated Property
ΔfG°	342.81	kJ/mol	Joback Calculated Property
ΔfH°gas	160.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	78.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.53	eV	Relay (1.0) Calculated Property
log10WS	-4.30		Relay (1.0) Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
McVol	154.640	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[1789.60; 1789.60]
Inp	1789.60		NIST
Inp	1789.60		NIST
Tboil	599.68	K	Relay (1.0) Calculated Property
Tc	902.81	K	Relay (1.0) Calculated Property
Tfus	312.94	K	Relay (1.0) Calculated Property
Vc	0.550	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.67; 443.49]	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			-4.98500e+01
Coefficient B			1.00950e+00
Coefficient C			-6.93360e-04
Coefficient D			1.77200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.67	J/mol×K	273.00	Calculated Property
Cp,gas	228.35	J/mol×K	353.78	Calculated Property
Cp,gas	272.44	J/mol×K	434.56	Calculated Property
Cp,gas	310.50	J/mol×K	515.33	Calculated Property
Cp,gas	343.08	J/mol×K	596.11	Calculated Property
Cp,gas	370.74	J/mol×K	676.89	Calculated Property
Cp,gas	394.06	J/mol×K	757.67	Calculated Property
Cp,gas	413.58	J/mol×K	838.44	Calculated Property
Cp,gas	429.87	J/mol×K	919.22	Calculated Property
Cp,gas	443.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlorodiphenylamine.

Sources

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

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