Chemical Properties of 13-nor-7,8-Epoxy-eremophil-1(10)-en-11-one

13-nor-7,8-Epoxy-eremophil-1(10)-en-11-one

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InChI
InChI=1S/C14H20O2/c1-9-5-4-6-11-7-12-14(16-12,10(2)15)8-13(9,11)3/h6,9,12H,4-5,7-8H2,1-3H3/t9-,12-,13+,14-/m0/s1
InChI Key
OQXGSYYUEPULKW-WTDIUWLJSA-N
Formula
C14H20O2
SMILES
CC(=O)C12CC3(C)C(=CCCC3C)CC1O2
Molecular Weight1
220.31
Sources

Physical Properties

Property Value Unit Source
Δf 11.65 kJ/mol Joback Calculated Property
Δfgas -314.34 kJ/mol Joback Calculated Property
Δfus 21.11 kJ/mol Joback Calculated Property
Δvap 56.44 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2525.19 kPa Joback Calculated Property
Tboil 629.25 K Joback Calculated Property
Tc 863.72 K Joback Calculated Property
Tfus 427.66 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 510.15 J/mol×K 629.25 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

13-nor-7,8-Epoxy-trans-eudesm-4(15)-en-11-one. 13-nor-7,8-Epoxy-eudesm-4(15)-en-11-one. Oxidoselina-1,3,7(11)-trien-8-one. Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16«alpha»)-. 17«alpha»-Hydroxypregnenolone, dimethyl ether. .beta.-HIMACHALENOXIDE. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. Pregn-5-en-20-one, 3,17-dihydroxy-, (3«beta»)-. 7,8-Epoxy-«alpha»-ionone. 17«alpha»,21-Dihydroxypregn-4-en-3,20-dione, 17,21-anhydro (oxetanone). (+)-6,7-epoxyeudesm-3-ene. 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate. 5-Pregnen-3.beta.-ol-20-one, hexanoate. Pregnenolone palmitate.

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