Chemical Properties of 2-Methylaminomethyl-5-nitrobenzophenone (CAS 4958-56-9)

InChI

InChI=1S/C14H12N2O3/c1-15-13-8-7-11(16(18)19)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,15H,1H3

InChI Key

KIWZKBUUWJTGPP-UHFFFAOYSA-N

Formula

C14H12N2O3

SMILES

CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1

Molecular Weight¹

256.26

CAS

4958-56-9

Other Names

• Methanone, [2-(methylamino)-5-nitrophenyl]phenyl-
• Benzophenone, 2-methylamino-5-nitro-
• 2-Methylamino-5-nitrobenzophenone
• 2-methylamino-5-nitro-benzophenone (MNB)

• 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	0.7219		Relay (... Calculated Property
ΔfG°	268.58	kJ/mol	Joback Calculated Property
ΔfH°gas	26.41	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.38	kJ/mol	Joback Calculated Property
ΔvapH°	106.91	kJ/mol	Relay (... Calculated Property
IE	8.14	eV	Relay (... Calculated Property
log10WS	-3.78		Relay (... Calculated Property
logPoct/wat	2.867		Crippen Calculated Property
McVol	189.570	ml/mol	McGowan Calculated Property
Pc	2947.28	kPa	Joback Calculated Property
Inp	[2378.00; 2390.00]
Inp	2390.00		NIST
Inp	2378.00		NIST
Inp	2390.00		NIST
Tboil	634.51	K	Relay (... Calculated Property
Tc	966.36	K	Relay (... Calculated Property
Tfus	417.63	K	Relay (... Calculated Property
Vc	0.653	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.12; 587.48]	J/mol×K	[838.92; 1101.14]
Cp,gas	533.12	J/mol×K	838.92	Joback Calculated Property
Cp,gas	544.78	J/mol×K	882.62	Joback Calculated Property
Cp,gas	555.28	J/mol×K	926.33	Joback Calculated Property
Cp,gas	564.72	J/mol×K	970.03	Joback Calculated Property
Cp,gas	573.17	J/mol×K	1013.74	Joback Calculated Property
Cp,gas	580.72	J/mol×K	1057.44	Joback Calculated Property
Cp,gas	587.48	J/mol×K	1101.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylaminomethyl-5-nitrobenzophenone.

Sources

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

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