Chemical Properties of Dibenzo[b,f]thiepin

InChI

InChI=1S/C14H10S/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10H

InChI Key

KMAWVRYYKYVCNR-UHFFFAOYSA-N

Formula

C14H10S

SMILES

C1=Cc2ccccc2Sc2ccccc21

Molecular Weight¹

210.30

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[185.42; 466.58]	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			-7.56300e+01
Coefficient B			1.19281e+00
Coefficient C			-9.47700e-04
Coefficient D			2.97100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.42	J/mol×K	273.00	Calculated Property
Cp,gas	240.90	J/mol×K	353.78	Calculated Property
Cp,gas	288.13	J/mol×K	434.56	Calculated Property
Cp,gas	328.05	J/mol×K	515.33	Calculated Property
Cp,gas	361.59	J/mol×K	596.11	Calculated Property
Cp,gas	389.70	J/mol×K	676.89	Calculated Property
Cp,gas	413.31	J/mol×K	757.67	Calculated Property
Cp,gas	433.37	J/mol×K	838.44	Calculated Property
Cp,gas	450.81	J/mol×K	919.22	Calculated Property
Cp,gas	466.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[b,f]thiepin.

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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