Chemical Properties of Benzodiazepine, 1h-1,4-, 2,3-dihydro-5-phenyl-7-(trifluoromethyl)-

InChI

InChI=1S/C16H13F3N2/c17-16(18,19)12-6-7-14-13(10-12)15(21-9-8-20-14)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2

InChI Key

UVIWKJUMUWEHQO-UHFFFAOYSA-N

Formula

C16H13F3N2

SMILES

FC(F)(F)c1ccc2c(c1)C(c1ccccc1)=NCCN2

Molecular Weight¹

290.29

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[256.75; 652.49]	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			-7.75700e+01
Coefficient B			1.47098e+00
Coefficient C			-9.63120e-04
Coefficient D			2.22200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.75	J/mol×K	273.00	Calculated Property
Cp,gas	332.13	J/mol×K	353.78	Calculated Property
Cp,gas	398.01	J/mol×K	434.56	Calculated Property
Cp,gas	455.11	J/mol×K	515.33	Calculated Property
Cp,gas	504.12	J/mol×K	596.11	Calculated Property
Cp,gas	545.75	J/mol×K	676.89	Calculated Property
Cp,gas	580.70	J/mol×K	757.67	Calculated Property
Cp,gas	609.67	J/mol×K	838.44	Calculated Property
Cp,gas	633.37	J/mol×K	919.22	Calculated Property
Cp,gas	652.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzodiazepine, 1h-1,4-, 2,3-dihydro-5-phenyl-7-(trifluoromethyl)-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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