Chemical Properties of Isogermafurenolide

Isogermafurenolide

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InChI
InChI=1S/C15H20O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,12-13H,1-2,7-8H2,3-5H3/t12-,13?,15+/m1/s1
InChI Key
IEOHWPUTLCTSCQ-JHIQODARSA-N
Formula
C15H20O2
SMILES
C=CC1(C)CC2OC(=O)C(C)=C2CC1C(=C)C
Molecular Weight1
232.32
Sources

Physical Properties

Property Value Unit Source
Δf 116.54 kJ/mol Joback Calculated Property
Δfgas -224.70 kJ/mol Joback Calculated Property
Δfus 23.41 kJ/mol Joback Calculated Property
Δvap 56.98 kJ/mol Joback Calculated Property
logPoct/wat 3.41 Crippen Calculated Property
Pc 2085.03 kPa Joback Calculated Property
Tboil 661.59 K Joback Calculated Property
Tc 894.35 K Joback Calculated Property
Tfus 406.90 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 548.58 J/mol×K 661.59 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Jalcaguaianolide. trans-Menthone lactone. (6R,7aS)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. (6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. Aristol-1(10)-en-9-yl isovalerate. «alpha»-Santonin. Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-. 6-«alpha»(H)-Santonin. 6,11-«alpha»(H)-Santonin. 3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one. (6R)-7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. Sencyunolide. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-. Dihydroactinidioide.

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