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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.47; 662.12]	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			1.06000e+00
Coefficient B			1.10778e+00
Coefficient C			-4.23120e-04
Coefficient D			-2.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.47	J/mol×K	273.00	Calculated Property
Cp,gas	338.97	J/mol×K	353.78	Calculated Property
Cp,gas	400.61	J/mol×K	434.56	Calculated Property
Cp,gas	456.34	J/mol×K	515.33	Calculated Property
Cp,gas	506.07	J/mol×K	596.11	Calculated Property
Cp,gas	549.72	J/mol×K	676.89	Calculated Property
Cp,gas	587.23	J/mol×K	757.67	Calculated Property
Cp,gas	618.51	J/mol×K	838.44	Calculated Property
Cp,gas	643.50	J/mol×K	919.22	Calculated Property
Cp,gas	662.12	J/mol×K	1000.00	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

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.
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