Chemical Properties of Abieta-8,11,13-trien-7-one

Abieta-8,11,13-trien-7-one

InChI
InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3
InChI Key
ISHVJVXYPLFKAL-UHFFFAOYSA-N
Formula
C20H28O
SMILES
CC(C)c1ccc2c(c1)C(=O)CC1C(C)(C)CCCC21C
Molecular Weight1
284.44
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Physical Properties

Property Value Unit Source
ΔfusH° 17.35 kJ/mol Joback Calculated Property
logPoct/wat 5.480 Crippen Calculated Property
McVol 248.750 ml/mol McGowan Calculated Property
Inp [2284.00; 2315.00]   Show Hide
Inp 2315.00 NIST
Inp 2293.00 NIST
Inp 2312.00 NIST
Inp 2312.00 NIST
Inp 2284.00 NIST
Inp 2312.00 NIST
Inp 2284.00 NIST
Tfus 369.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [321.40; 910.56] 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-1.90620e+02
Coefficient B2.38350e+00
Coefficient C-2.07792e-03
Coefficient D7.95600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 321.40 J/mol×K 273.00 Calculated Property
Cp,gas 427.77 J/mol×K 353.78 Calculated Property
Cp,gas 518.04 J/mol×K 434.56 Calculated Property
Cp,gas 594.73 J/mol×K 515.33 Calculated Property
Cp,gas 660.35 J/mol×K 596.11 Calculated Property
Cp,gas 717.43 J/mol×K 676.89 Calculated Property
Cp,gas 768.47 J/mol×K 757.67 Calculated Property
Cp,gas 816.00 J/mol×K 838.44 Calculated Property
Cp,gas 862.52 J/mol×K 919.22 Calculated Property
Cp,gas 910.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

7-Oxodehydroabietic acid, methyl ester. 7-Oxodehydroabietic acid, trimethylsilyl ester. 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. Epidehydroabietol. 1-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1«alpha»,4a«alpha»,10a«beta»)]-. Dehydroabietic acid. 15-Hydroxy-7-oxodehydroabietic acid, trimethylsilyl ester, 15-trimethylsilyl ether. DEHYDROABIETIC ACID, TRIMETHYLSILYL ESTER. Methyl dehydroabietate. 4-epi-Dehydroabietinol acetate. Methyl 8,11,13-Abietadien-18-oate. Dehydroabietol benzoate. 7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.

Find more compounds similar to Abieta-8,11,13-trien-7-one.

Sources

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