Chemical Properties of BENZOPHENONE, 2-METHYLAMINO-5-NITRO-

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

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	26.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.38	kJ/mol	Joback Calculated Property
ΔvapH°	106.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-3.78		Relay (1.0) Calculated Property
logPoct/wat	2.867		Crippen Calculated Property
McVol	189.570	ml/mol	McGowan Calculated Property
Inp	[2378.00; 2390.00]
Inp	2390.00		NIST
Inp	2378.00		NIST
Inp	2390.00		NIST
Tboil	634.51	K	Relay (1.0) Calculated Property
Tfus	417.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

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 BENZOPHENONE, 2-METHYLAMINO-5-NITRO-.

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.