Chemical Properties of Dibenz[b,e]azepin, 5,6(11H)dihydro-

InChI

InChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2

InChI Key

YSHVGIKWUJCBLY-UHFFFAOYSA-N

Formula

C14H13N

SMILES

c1ccc2c(c1)CNc1ccccc1C2

Molecular Weight¹

195.27

Other Names

• 11H-Dibenz[b,E]azepine, 5,6-dihydro-
• 6,11-dihydro-5H-dibenz[b,e]azepine

• 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).
• T_boil : Normal Boiling Point Temperature (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 Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.47; 502.77]	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			-8.83100e+01
Coefficient B			1.22100e+00
Coefficient C			-8.81120e-04
Coefficient D			2.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.47	J/mol×K	273.00	Calculated Property
Cp,gas	244.50	J/mol×K	353.78	Calculated Property
Cp,gas	296.51	J/mol×K	434.56	Calculated Property
Cp,gas	341.29	J/mol×K	515.33	Calculated Property
Cp,gas	379.65	J/mol×K	596.11	Calculated Property
Cp,gas	412.37	J/mol×K	676.89	Calculated Property
Cp,gas	440.24	J/mol×K	757.67	Calculated Property
Cp,gas	464.07	J/mol×K	838.44	Calculated Property
Cp,gas	484.65	J/mol×K	919.22	Calculated Property
Cp,gas	502.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dibenz[b,e]azepin, 5,6(11H)dihydro-.

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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