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

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-
  • 4,4a,9,10-Tetrahydro-4a-methyl-2(3H)-phenanthrenone
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Physical Properties

Property Value Unit Source
ΔfH°gas -13.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.30 kJ/mol Joback Calculated Property
ΔvapH° 85.27 kJ/mol Relay (1.0) Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
logPoct/wat 3.180 Crippen Calculated Property
McVol 174.000 ml/mol McGowan Calculated Property
Inp 288.30 NIST
Tboil 601.21 K Relay (1.0) Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [208.57; 600.12] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.38500e+02
Coefficient B1.60762e+00
Coefficient C-1.36820e-03
Coefficient D4.99200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 208.57 J/mol×K 273.00 Calculated Property
Cp,gas 281.10 J/mol×K 353.78 Calculated Property
Cp,gas 342.70 J/mol×K 434.56 Calculated Property
Cp,gas 394.93 J/mol×K 515.33 Calculated Property
Cp,gas 439.38 J/mol×K 596.11 Calculated Property
Cp,gas 477.62 J/mol×K 676.89 Calculated Property
Cp,gas 511.24 J/mol×K 757.67 Calculated Property
Cp,gas 541.81 J/mol×K 838.44 Calculated Property
Cp,gas 570.91 J/mol×K 919.22 Calculated Property
Cp,gas 600.12 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Tazettine. N-Desmethylmirtazapine. azadirachtin. DILTIAZEM, M(ODESMETHYL-), AC. Diltiazem. SCHEMBL9488362. Venlafaxine-M (nor-HO-)-H2O AC. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. 6-O,N-Diacetylnorcodeine. PACLITAXEL. CODEIN-PROPIONYL. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

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

Sources

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