Chemical Properties of Methanone, (4-nitrophenyl)phenyl- (CAS 1144-74-7)

InChI

InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H

InChI Key

ZYMCBJWUWHHVRX-UHFFFAOYSA-N

Formula

C13H9NO3

SMILES

O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

227.22

CAS

1144-74-7

Other Names

• Benzophenone, 4-nitro-
• 4-Nitrobenzophenone
• p-Nitrobenzophenone
• 4-Nitrophenyl phenyl ketone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• 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
EA	1.57 ± 0.09	eV	NIST
ΔfG°	180.40	kJ/mol	Joback Calculated Property
ΔfH°gas	26.60	kJ/mol	Joback Calculated Property
ΔfusH°	30.08	kJ/mol	Joback Calculated Property
ΔvapH°	73.08	kJ/mol	Joback Calculated Property
IE	[10.00; 10.00]	eV
IE	10.00 ± 0.10	eV	NIST
IE	10.00 ± 0.10	eV	NIST
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	2.826		Crippen Calculated Property
McVol	165.500	ml/mol	McGowan Calculated Property
Pc	3287.81	kPa	Joback Calculated Property
Tboil	760.89	K	Joback Calculated Property
Tc	1033.69	K	Joback Calculated Property
Tfus	495.17	K	Joback Calculated Property
Vc	0.635	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[433.87; 490.24]	J/mol×K	[760.89; 1033.69]
Cp,gas	433.87	J/mol×K	760.89	Joback Calculated Property
Cp,gas	446.05	J/mol×K	806.36	Joback Calculated Property
Cp,gas	456.98	J/mol×K	851.82	Joback Calculated Property
Cp,gas	466.76	J/mol×K	897.29	Joback Calculated Property
Cp,gas	475.50	J/mol×K	942.75	Joback Calculated Property
Cp,gas	483.29	J/mol×K	988.22	Joback Calculated Property
Cp,gas	490.24	J/mol×K	1033.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methanone, (4-nitrophenyl)phenyl-.

Sources

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

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