Chemical Properties of Benz[d]ovalene

InChI

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

InChI Key

VECPQLCGFBNKKP-UHFFFAOYSA-N

Formula

C36H16

SMILES

c1ccc2c(c1)c1ccc3cc4ccc5ccc6ccc7cc8ccc2c2c8c8c7c6c5c4c8c3c12

Molecular Weight¹

448.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Cheméo can also estimate 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.

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[d]ovalene.

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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