Chemical Properties of Benzodiazepine, 1h-1,4-, 2,3-dihydro-5-phenyl-7-(trifluoromethyl)- (CAS 2890-28-0)

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

290.28

CAS

2890-28-0

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.54; 653.21]	J/mol×K	[749.72; 1003.42]
Cp,gas	577.54	J/mol×K	749.72	Joback Calculated Property
Cp,gas	593.70	J/mol×K	792.00	Joback Calculated Property
Cp,gas	608.31	J/mol×K	834.29	Joback Calculated Property
Cp,gas	621.47	J/mol×K	876.57	Joback Calculated Property
Cp,gas	633.27	J/mol×K	918.85	Joback Calculated Property
Cp,gas	643.82	J/mol×K	961.14	Joback Calculated Property
Cp,gas	653.21	J/mol×K	1003.42	Joback Calculated Property

Similar Compounds

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

Sources

• 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.