Chemical Properties of 4,8-«beta»-Epoxycaryophyllene

4,8-«beta»-Epoxycaryophyllene

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InChI
InChI=1S/C15H26O/c1-13(2)10-12-11(13)6-9-14(3)7-5-8-15(12,4)16-14/h11-12H,5-10H2,1-4H3/t11-,12+,14+,15-/m0/s1
InChI Key
FMRYSKILCWLXDC-MXYBEHONSA-N
Formula
C15H26O
SMILES
CC1(C)CC2C1CCC1(C)CCCC2(C)O1
Molecular Weight1
222.37
Sources

Physical Properties

Property Value Unit Source
Δf 103.36 kJ/mol Joback Calculated Property
Δfgas -279.97 kJ/mol Joback Calculated Property
Δfus 13.94 kJ/mol Joback Calculated Property
Δvap 49.68 kJ/mol Joback Calculated Property
logPoct/wat 4.16 Crippen Calculated Property
Pc 2197.95 kPa Joback Calculated Property
Tboil 593.96 K Joback Calculated Property
Tc 830.88 K Joback Calculated Property
Tfus 391.86 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 558.99 J/mol×K 593.96 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 3
-O- (ring) 1
-CH3 4
>CH- (ring) 2
-CH2- (ring) 6

Similar Compounds

Caryophyllen-2,6-«beta»-oxide. caryophillan-2,6-«beta»-oxide. Peculiaroxide. caryophyllan-2,6-.beta.-oxide. Kessane. Kessane. Isokessane. cis-4,10-epoxy-Amorphane. Caryophyllene acetate. 3,10-Epoxy-muurol-4-ene. CEDRYL PROPYL ETHER. epi-ligulyl oxide. Liguloxide isomer. Guaioxide. Liguloxide.

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