Chemical Properties of Benz[a]ovalene (CAS 75449-88-6)

InChI

InChI=1S/C36H16/c1-2-4-24-23(3-1)25-14-13-19-8-11-21-15-20-10-7-17-5-6-18-9-12-22-16-26(24)34-33(25)29(19)31(21)35-30(20)27(17)28(18)32(22)36(34)35/h1-16H

InChI Key

UEOJBRIZEMHGKR-UHFFFAOYSA-N

Formula

C36H16

SMILES

c1ccc2c(c1)c1ccc3ccc4cc5ccc6ccc7ccc8cc2c2c1c3c4c1c5c6c7c8c21

Molecular Weight¹

448.51

CAS

75449-88-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	[1158.15; 1646.14]	J/mol×K	[1245.88; 1533.31]
Cp,gas	1158.15	J/mol×K	1245.88	Joback Calculated Property
Cp,gas	1215.75	J/mol×K	1293.79	Joback Calculated Property
Cp,gas	1281.69	J/mol×K	1341.69	Joback Calculated Property
Cp,gas	1356.83	J/mol×K	1389.60	Joback Calculated Property
Cp,gas	1442.05	J/mol×K	1437.50	Joback Calculated Property
Cp,gas	1538.20	J/mol×K	1485.41	Joback Calculated Property
Cp,gas	1646.14	J/mol×K	1533.31	Joback Calculated Property
η	[1.7231260; 2.2745745]	Pa×s	[992.98; 1245.88]
η	1.7231260	Pa×s	992.98	Joback Calculated Property
η	1.8218221	Pa×s	1035.13	Joback Calculated Property
η	1.9177944	Pa×s	1077.28	Joback Calculated Property
η	2.0110325	Pa×s	1119.43	Joback Calculated Property
η	2.1015508	Pa×s	1161.58	Joback Calculated Property
η	2.1893823	Pa×s	1203.73	Joback Calculated Property
η	2.2745745	Pa×s	1245.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benz[a]ovalene.

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.