Chemical Properties of Humulene epoxide I

Humulene epoxide I

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InChI
InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+
InChI Key
QTGAEXCCAPTGLB-ZYEZJADKSA-N
Formula
C15H24O
SMILES
CC1=CCC(C)(C)C=CCC2(C)OC2CC1
Molecular Weight1
220.35
Sources

Physical Properties

Property Value Unit Source
Δf 69.80 kJ/mol Joback Calculated Property
Δfgas -262.06 kJ/mol Joback Calculated Property
Δfus 16.79 kJ/mol Joback Calculated Property
Δvap 52.99 kJ/mol Joback Calculated Property
logPoct/wat 4.25 Crippen Calculated Property
Pc 2177.49 kPa Joback Calculated Property
Tboil 607.76 K Joback Calculated Property
Tc 848.30 K Joback Calculated Property
Tfus 357.74 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 538.18 J/mol×K 607.76 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Humulene epoxide I. Humulene epoxide III. Humulene epoxyde I. «alpha»-Humulene epoxide II. (1R,3E,7E,11R)-1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene. «alpha»-Humulene epoxide. epoxyterpinolene. Cedroxyde. Humulene diepoxide A. trans-2-«alpha»-Bisabolene epoxide. «alpha»-Bisabolene epoxide. «alpha»-Bisabolene oxide. trans-(Z)-Bisabolene epoxide. Bisabolene oxide A. (Z)-«alpha»-Bisabolene epoxide.

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