Chemical Properties of Methanone, (2-fluorophenyl)[2-(methylamino)-5-nitrophenyl]- (CAS 735-06-8)

InChI

InChI=1S/C14H11FN2O3/c1-16-13-7-6-9(17(19)20)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,16H,1H3

InChI Key

GVXPKRIRHDRCGY-UHFFFAOYSA-N

Formula

C14H11FN2O3

SMILES

CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F

Molecular Weight¹

274.25

CAS

735-06-8

Other Names

• 2'-Fluoro-2-methylamino-5-nitrobenzophenone
• 2-methylamino-5-nitro-2'-fluor-benzophenone
• 2-Methylamino-5-nitro-2'-fluorobenzophenone
• Benzophenone, 2'-fluoro-2-methylamino-5-nitro
• Flunitrazepam benzophenone

• 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°	64.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.62	kJ/mol	Joback Calculated Property
ΔfusH°	40.07	kJ/mol	Joback Calculated Property
ΔvapH°	82.25	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	3.007		Crippen Calculated Property
McVol	191.340	ml/mol	McGowan Calculated Property
Pc	2764.26	kPa	Joback Calculated Property
Inp	[2338.00; 2430.00]
Inp	2350.00		NIST
Inp	2338.00		NIST
Inp	2383.00		NIST
Inp	2370.00		NIST
Inp	2370.00		NIST
Inp	Outlier 2430.00		NIST
Inp	2370.00		NIST
Inp	2350.00		NIST
Tboil	843.17	K	Joback Calculated Property
Tc	1095.55	K	Joback Calculated Property
Tfus	584.73	K	Joback Calculated Property
Vc	0.745	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.91; 590.19]	J/mol×K	[843.17; 1095.55]
Cp,gas	538.91	J/mol×K	843.17	Joback Calculated Property
Cp,gas	549.90	J/mol×K	885.23	Joback Calculated Property
Cp,gas	559.82	J/mol×K	927.30	Joback Calculated Property
Cp,gas	568.73	J/mol×K	969.36	Joback Calculated Property
Cp,gas	576.72	J/mol×K	1011.42	Joback Calculated Property
Cp,gas	583.85	J/mol×K	1053.49	Joback Calculated Property
Cp,gas	590.19	J/mol×K	1095.55	Joback Calculated Property

Similar Compounds

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

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.