Chemical Properties of epi-Catalponol

epi-Catalponol

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InChI
InChI=1S/C15H18O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11,14,16H,8-9H2,1-2H3/t11-,14?/m0/s1
InChI Key
BTQXIESSQVRLCV-ZSOXZCCMSA-N
Formula
C15H18O2
SMILES
CC(C)=CCC1CC(O)c2ccccc2C1=O
Molecular Weight1
230.30
Sources

Physical Properties

Property Value Unit Source
Δf 31.40 kJ/mol Joback Calculated Property
Δfgas -264.07 kJ/mol Joback Calculated Property
Δfus 27.85 kJ/mol Joback Calculated Property
Δvap 72.66 kJ/mol Joback Calculated Property
logPoct/wat 3.28 Crippen Calculated Property
Pc 2412.37 kPa Joback Calculated Property
Tboil 744.64 K Joback Calculated Property
Tc 965.00 K Joback Calculated Property
Tfus 417.93 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 558.97 J/mol×K 744.64 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Acetyl-1-tetralone. 1(2H)-Naphthalenone, 3,4-dihydro-2-methyl-. (+).beta.-Desmotroposantonin methyl ether. (-)«alpha»-Desmotroposantonin acetate. (+)«beta»-Desmotroposantonin acetate. 7-Oxodehydroabietic acid, methyl ester. 10-Hydroxycalamene-8,9-epoxide. Ligusticumic acid. Abieta-8,11,13-trien-7-one. 15-Hydroxy-7-oxodehydroabietic acid, trimethylsilyl ester, 15-trimethylsilyl ether. 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)-. 1(2H)-Naphthalenone, 3,4-dihydro-3,3,6,8-tetramethyl-. 1-Naphthol, 1,2,3,4-tetrahydro-2-methyl-. 1,11-Calamenene oxide.

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