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

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

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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
Sources

Physical Properties

Property Value Unit Source
Δf 164.25 kJ/mol Joback Calculated Property
Δfgas -242.10 kJ/mol Joback Calculated Property
Δfus 17.35 kJ/mol Joback Calculated Property
Δvap 65.13 kJ/mol Joback Calculated Property
logPoct/wat 5.48 Crippen Calculated Property
Pc 1697.70 kPa Joback Calculated Property
Tboil 778.85 K Joback Calculated Property
Tc 1025.29 K Joback Calculated Property
Tfus 492.24 K Joback Calculated Property
Vc 0.94 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 781.17 J/mol×K 778.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 5
=CH- (ring) 3
=C< (ring) 3
>C< (ring) 2
>C=O (ring) 1
>CH- (ring) 1
-CH2- (ring) 4

Similar Compounds

9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. 7-Oxodehydroabietic acid, methyl ester. 7-Oxodehydroabietic acid, trimethylsilyl ester. 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»)]-. 7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene. Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. 18-norabieta-8,11,13-triene. Dehydro abietyl nitrile. Tonalid. Dehydroabietic acid. 4-Isopropyl-6-methyltetral-1-one. 10-Nor-calamenen-10-one. Dehydroabietol ethyl benzoate. 3-Ethyl-5b,8,8,11a-tetramethyl-2,3, 5b,6,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-1H-cyclopenta[a]chrysene.

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