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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.07	kJ/mol	Joback Calculated Property
logPoct/wat	3.007		Crippen Calculated Property
McVol	191.340	ml/mol	McGowan 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	624.93	K	Relay (1.0) Calculated Property
Tfus	415.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.09; 574.64]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.70200e+01
Coefficient B			1.15688e+00
Coefficient C			-7.23780e-04
Coefficient D			1.58560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.09	J/mol×K	273.00	Calculated Property
Cp,gas	308.69	J/mol×K	353.78	Calculated Property
Cp,gas	362.04	J/mol×K	434.56	Calculated Property
Cp,gas	408.65	J/mol×K	515.33	Calculated Property
Cp,gas	449.00	J/mol×K	596.11	Calculated Property
Cp,gas	483.61	J/mol×K	676.89	Calculated Property
Cp,gas	512.98	J/mol×K	757.67	Calculated Property
Cp,gas	537.61	J/mol×K	838.44	Calculated Property
Cp,gas	557.99	J/mol×K	919.22	Calculated Property
Cp,gas	574.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.