Chemical Properties of Dibenzo[b,f]thiepin (CAS 257-13-6)

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

210.29

CAS

257-13-6

• ω : Acentric Factor.
• 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).
• 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).
• 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	[377.97; 450.16]	J/mol×K	[641.44; 916.01]
Cp,gas	377.97	J/mol×K	641.44	Joback Calculated Property
Cp,gas	392.94	J/mol×K	687.20	Joback Calculated Property
Cp,gas	406.51	J/mol×K	732.96	Joback Calculated Property
Cp,gas	418.84	J/mol×K	778.73	Joback Calculated Property
Cp,gas	430.12	J/mol×K	824.49	Joback Calculated Property
Cp,gas	440.50	J/mol×K	870.25	Joback Calculated Property
Cp,gas	450.16	J/mol×K	916.01	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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