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

• 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	0.6028		Relay (1.0) Calculated Property
ΔfG°	221.10	kJ/mol	Joback Calculated Property
ΔfH°gas	3.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.22	kJ/mol	Joback Calculated Property
ΔvapH°	97.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-4.23		Relay (1.0) 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	629.89	K	Relay (1.0) Calculated Property
Tc	917.23	K	Relay (1.0) Calculated Property
Tfus	378.93	K	Relay (1.0) Calculated Property
Vc	0.645	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.