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

InChI

InChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21(23)18-10-6-3-7-11-18/h2-15,20,22H,1H3

InChI Key

OKDKHOBYMXHNMN-UHFFFAOYSA-N

Formula

C21H19NO

SMILES

Cc1ccc(NC(C(=O)c2ccccc2)c2ccccc2)cc1

Molecular Weight¹

301.38

• 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).
• 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
ΔfG°	411.57	kJ/mol	Joback Calculated Property
ΔfH°gas	156.96	kJ/mol	Joback Calculated Property
ΔfusH°	35.05	kJ/mol	Joback Calculated Property
ΔvapH°	82.62	kJ/mol	Joback Calculated Property
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	5.031		Crippen Calculated Property
McVol	247.020	ml/mol	McGowan Calculated Property
Pc	2119.73	kPa	Joback Calculated Property
Inp	[2544.00; 2544.00]
Inp	2544.00		NIST
Inp	2544.00		NIST
Tboil	868.50	K	Joback Calculated Property
Tc	1125.51	K	Joback Calculated Property
Tfus	505.80	K	Joback Calculated Property
Vc	0.922	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.61; 800.74]	J/mol×K	[868.50; 1125.51]
Cp,gas	728.61	J/mol×K	868.50	Joback Calculated Property
Cp,gas	743.68	J/mol×K	911.34	Joback Calculated Property
Cp,gas	757.35	J/mol×K	954.17	Joback Calculated Property
Cp,gas	769.75	J/mol×K	997.01	Joback Calculated Property
Cp,gas	781.02	J/mol×K	1039.84	Joback Calculated Property
Cp,gas	791.30	J/mol×K	1082.68	Joback Calculated Property
Cp,gas	800.74	J/mol×K	1125.51	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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