Chemical Properties of 4-CHLORO-3-NITROBENZOPHENONE

InChI

InChI=1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H

InChI Key

YBDBYPQFIMSFJW-UHFFFAOYSA-N

Formula

C13H8ClNO3

SMILES

O=C(c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1

Molecular Weight¹

261.66

Other Names

• Benzophenone, 4-chloro-3-nitro-
• Methanone, (4-chloro-3-nitrophenyl)(phenyl)

• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.35; 490.40]	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			-2.24000e+01
Coefficient B			1.04016e+00
Coefficient C			-6.91820e-04
Coefficient D			1.64460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.35	J/mol×K	273.00	Calculated Property
Cp,gas	266.28	J/mol×K	353.78	Calculated Property
Cp,gas	312.46	J/mol×K	434.56	Calculated Property
Cp,gas	352.41	J/mol×K	515.33	Calculated Property
Cp,gas	386.65	J/mol×K	596.11	Calculated Property
Cp,gas	415.70	J/mol×K	676.89	Calculated Property
Cp,gas	440.08	J/mol×K	757.67	Calculated Property
Cp,gas	460.31	J/mol×K	838.44	Calculated Property
Cp,gas	476.91	J/mol×K	919.22	Calculated Property
Cp,gas	490.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-CHLORO-3-NITROBENZOPHENONE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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