Chemical Properties of 4A-METHYL-4,4A,9,10-TETRAHYDRO-2(3H)-PHENANTHRENONE

InChI

InChI=1S/C15H16O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,10H,6-9H2,1H3

InChI Key

FSPGJSRKHCJARC-UHFFFAOYSA-N

Formula

C15H16O

SMILES

CC12CCC(=O)C=C1CCc1ccccc12

Molecular Weight¹

212.29

Other Names

• 2(3H)-Phenanthrone, 4,4a,9,10-tetrahydro-4a-methyl-
• 4a-Methyl-4,4a,9,10-tetrahydro-2(3H)-phenanthrenone
• 4,4a,9,10-Tetrahydro-4a-methyl-2(3H)-phenanthrenone

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[475.96; 576.75]	J/mol×K	[673.15; 935.55]
Cp,gas	475.96	J/mol×K	673.15	Joback Calculated Property
Cp,gas	494.74	J/mol×K	716.88	Joback Calculated Property
Cp,gas	512.40	J/mol×K	760.62	Joback Calculated Property
Cp,gas	529.17	J/mol×K	804.35	Joback Calculated Property
Cp,gas	545.33	J/mol×K	848.08	Joback Calculated Property
Cp,gas	561.10	J/mol×K	891.82	Joback Calculated Property
Cp,gas	576.75	J/mol×K	935.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4A-METHYL-4,4A,9,10-TETRAHYDRO-2(3H)-PHENANTHRENONE.

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.