Chemical Properties of Acetophenone, 2-phenyl-2-(4-chlorophenylamino)

InChI

InChI=1S/C20H16ClNO/c21-17-11-13-18(14-12-17)22-19(15-7-3-1-4-8-15)20(23)16-9-5-2-6-10-16/h1-14,19,22H

InChI Key

OKXHEPYTJQIFQB-UHFFFAOYSA-N

Formula

C20H16ClNO

SMILES

O=C(c1ccccc1)C(Nc1ccc(Cl)cc1)c1ccccc1

Molecular Weight¹

321.80

• 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_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	0.6054		Relay (1.0) Calculated Property
ΔfG°	391.22	kJ/mol	Joback Calculated Property
ΔfH°gas	138.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.66	kJ/mol	Joback Calculated Property
ΔvapH°	113.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.59	eV	Relay (1.0) Calculated Property
log10WS	-5.55		Relay (1.0) Calculated Property
logPoct/wat	5.376		Crippen Calculated Property
McVol	245.170	ml/mol	McGowan Calculated Property
Pc	2239.76	kPa	Joback Calculated Property
Inp	[2669.00; 2669.00]
Inp	2669.00		NIST
Inp	2669.00		NIST
Tboil	680.82	K	Relay (1.0) Calculated Property
Tc	1031.09	K	Relay (1.0) Calculated Property
Tfus	412.55	K	Relay (1.0) Calculated Property
Vc	0.847	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[694.31; 758.09]	J/mol×K	[883.05; 1146.66]
Cp,gas	694.31	J/mol×K	883.05	Joback Calculated Property
Cp,gas	707.76	J/mol×K	926.98	Joback Calculated Property
Cp,gas	719.88	J/mol×K	970.92	Joback Calculated Property
Cp,gas	730.83	J/mol×K	1014.85	Joback Calculated Property
Cp,gas	740.75	J/mol×K	1058.79	Joback Calculated Property
Cp,gas	749.79	J/mol×K	1102.72	Joback Calculated Property
Cp,gas	758.09	J/mol×K	1146.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, 2-phenyl-2-(4-chlorophenylamino).

Sources

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

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