Chemical Properties of Methanone, [5-chloro-2-(methylamino)phenyl]phenyl- (CAS 1022-13-5)

InChI

InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3

InChI Key

WPNMLCMTDCANOZ-UHFFFAOYSA-N

Formula

C14H12ClNO

SMILES

CNc1ccc(Cl)cc1C(=O)c1ccccc1

Molecular Weight¹

245.70

CAS

1022-13-5

Other Names

• Benzophenone, 5-chloro-2-(methylamino)-
• [5-Chloro-2-(methylamino)phenyl]phenylmethanone
• 5-Chloro-2-(methylamino)benzophenone
• 2-Methylamino-5-chlorobenzophenone
• Benzophenone, 2-acetamido-5-chloro-
• 2-Methylamino-5-chlorbenzophenone
• Diazepam benzophenone
• Diazepam, acid hydrolyzed

• 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°	221.10	kJ/mol	Joback Calculated Property
ΔfH°gas	42.98	kJ/mol	Joback Calculated Property
ΔfusH°	30.22	kJ/mol	Joback Calculated Property
ΔvapH°	70.20	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	184.390	ml/mol	McGowan Calculated Property
Pc	2796.51	kPa	Joback Calculated Property
Inp	[2076.00; 2115.00]
Inp	2088.00		NIST
Inp	Outlier 2076.00		NIST
Inp	2115.00		NIST
Inp	2105.00		NIST
Inp	2104.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2088.00		NIST
Tboil	724.51	K	Joback Calculated Property
Tc	972.24	K	Joback Calculated Property
Tfus	457.93	K	Joback Calculated Property
Vc	0.694	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.13; 527.47]	J/mol×K	[724.51; 972.24]
Cp,gas	463.13	J/mol×K	724.51	Joback Calculated Property
Cp,gas	476.46	J/mol×K	765.80	Joback Calculated Property
Cp,gas	488.65	J/mol×K	807.09	Joback Calculated Property
Cp,gas	499.77	J/mol×K	848.38	Joback Calculated Property
Cp,gas	509.90	J/mol×K	889.66	Joback Calculated Property
Cp,gas	519.12	J/mol×K	930.95	Joback Calculated Property
Cp,gas	527.47	J/mol×K	972.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.