Chemical Properties of 7-Difluoromethoxy-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one (CAS 55384-53-7)

InChI

InChI=1S/C16H12F2N2O2/c17-16(18)22-11-6-7-13-12(8-11)15(19-9-14(21)20-13)10-4-2-1-3-5-10/h1-8,16H,9H2,(H,20,21)

InChI Key

WMEDSEKKSZGVOM-UHFFFAOYSA-N

Formula

C16H12F2N2O2

SMILES

O=C1CN=C(c2ccccc2)c2cc(OC(F)F)ccc2N1

Molecular Weight¹

302.28

CAS

55384-53-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[620.26; 676.61]	J/mol×K	[843.48; 1104.23]
Cp,gas	620.26	J/mol×K	843.48	Joback Calculated Property
Cp,gas	634.28	J/mol×K	886.94	Joback Calculated Property
Cp,gas	646.46	J/mol×K	930.40	Joback Calculated Property
Cp,gas	656.80	J/mol×K	973.86	Joback Calculated Property
Cp,gas	665.27	J/mol×K	1017.32	Joback Calculated Property
Cp,gas	671.88	J/mol×K	1060.77	Joback Calculated Property
Cp,gas	676.61	J/mol×K	1104.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Difluoromethoxy-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one.

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

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