Chemical Properties of 11-epi-6,10-epoxybisabol-2-en-12-al

11-epi-6,10-epoxybisabol-2-en-12-al

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InChI
InChI=1S/C15H24O2/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)17-15(13)8-10/h4,6,9-15H,5,7-8H2,1-3H3/t10?,11-,12?,13?,14?,15?/m1/s1
InChI Key
HAICQTPYRLMCFN-AOAHJRJYSA-N
Formula
C15H24O2
SMILES
CC(C=O)C1CCC(C)C2C=CC(C)CC2O1
Molecular Weight1
236.35
Sources

Physical Properties

Property Value Unit Source
Δf -44.83 kJ/mol Joback Calculated Property
Δfgas -464.23 kJ/mol Joback Calculated Property
Δfus 31.56 kJ/mol Joback Calculated Property
Δvap 59.88 kJ/mol Joback Calculated Property
logPoct/wat 3.22 Crippen Calculated Property
Pc 1952.68 kPa Joback Calculated Property
Tboil 637.75 K Joback Calculated Property
Tc 856.49 K Joback Calculated Property
Tfus 318.70 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 593.44 J/mol×K 637.75 Joback Calculated Property
η 0.00 Pa×s 637.75 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

6,10-epoxybisabol-2-en-12-al. 11-epi-6,10-Epoxybisabol-3-en-12-al. 6,10-epoxybisabol-3-en-12-al. 4,2,7-Ethanylylidenecyclopenta[b]pyran-9-one, 2,3,4,4a,7,7a-hexahydro-. 1.alpha.,10.alpha.-Epoxy-amorph-4-ene. 5-Norbornen-2-yl acetate. 1,8-Epoxycadin-4-ene. 10-epi-1,8-Epoxycadin-4-ene. Khusinol acetate. (-)-5,11-epoxy-4 .alpha.,5 .beta.,10 .alpha.-eudesm-1-ene. Dehydro-sesquicineole. (1R,3S,4S)-1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]oct-5-ene. endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«alpha»-ol, acetate. exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«alpha»-ol, acetate. exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«beta»-ol, acetate.

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