Chemical Properties of Dibenz[b,e]oxepin-11(6H)-one (CAS 4504-87-4)

InChI

InChI=1S/C14H10O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2

InChI Key

YUSHFLBKQQILNV-UHFFFAOYSA-N

Formula

C14H10O2

SMILES

O=C1c2ccccc2COc2ccccc21

Molecular Weight¹

210.23

CAS

4504-87-4

Other Names

• 6,11-Dihydrodibenz[b,e]oxepin-11-one
• 6,11-Dihydrobenz[b,e]oxepin-11-one

• 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	[409.57; 482.08]	J/mol×K	[689.22; 957.55]
Cp,gas	409.57	J/mol×K	689.22	Joback Calculated Property
Cp,gas	424.63	J/mol×K	733.94	Joback Calculated Property
Cp,gas	438.38	J/mol×K	778.66	Joback Calculated Property
Cp,gas	450.91	J/mol×K	823.39	Joback Calculated Property
Cp,gas	462.32	J/mol×K	868.11	Joback Calculated Property
Cp,gas	472.68	J/mol×K	912.83	Joback Calculated Property
Cp,gas	482.08	J/mol×K	957.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dibenz[b,e]oxepin-11(6H)-one.

Sources

• 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.