Chemical Properties of Isokessane

Isokessane

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InChI
InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10?,11-,12?,13?,15?/m0/s1
InChI Key
QRVMFXFSGYDNJI-LDJXKFRGSA-N
Formula
C15H26O
SMILES
CC1CCC2C1CC1CCC2(C)OC1(C)C
Molecular Weight1
222.37
Sources

Physical Properties

Property Value Unit Source
Δf 101.14 kJ/mol Joback Calculated Property
Δfgas -315.55 kJ/mol Joback Calculated Property
Δfus 21.31 kJ/mol Joback Calculated Property
Δvap 50.52 kJ/mol Joback Calculated Property
logPoct/wat 4.016 Crippen Calculated Property
Pc 2045.61 kPa Joback Calculated Property
Tboil 589.05 K Joback Calculated Property
Tc 816.69 K Joback Calculated Property
Tfus 363.72 K Joback Calculated Property
Vc 0.737 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 561.58 J/mol×K 589.05 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Kessane. Kessane. cis-4,10-epoxy-Amorphane. (-)-Kessane. Liguloxide isomer. Liguloxide. Liguloxide. epi-ligulyl oxide. Guaioxide. Peculiaroxide. 3,10-Epoxy-muurol-4-ene. Dihydrosesquicineole. 4,8-«beta»-Epoxycaryophyllene. Caryophyllen-2,6-«beta»-oxide. caryophillan-2,6-«beta»-oxide.

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