Chemical Properties of «alpha»-Bisabolone oxide A

«alpha»-Bisabolone oxide A

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InChI
InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12?,13-,15+/m1/s1
InChI Key
WJHRAVIQWFQMKF-RLSDIYDTSA-N
Formula
C15H26O2
SMILES
CC1=CCC(C2(C)CCC(O)C(C)(C)O2)CC1
Molecular Weight1
238.37
Sources

Physical Properties

Property Value Unit Source
Δf -104.69 kJ/mol Joback Calculated Property
Δfgas -492.41 kJ/mol Joback Calculated Property
Δfus 20.72 kJ/mol Joback Calculated Property
Δvap 69.06 kJ/mol Joback Calculated Property
logPoct/wat 3.44 Crippen Calculated Property
Pc 2224.99 kPa Joback Calculated Property
Tboil 696.11 K Joback Calculated Property
Tc 915.11 K Joback Calculated Property
Tfus 413.56 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 634.07 J/mol×K 696.11 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

«alpha»-Bisabolone oxide A. Bisabolol oxide. 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3«alpha»,6«alpha»(R*)]]-. 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]-. Bisabolol oxide B. Bisabolol oxide B. Isoincensole. Incensole. Incensole. 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-4(3H)-one. epi-«alpha»-Bisabolol, acetate. «alpha»-Bisabolol acetate. «alpha»-Bisabolol, acetate. Incensole oxide. 2-(Methylamino)ethanol, N,O-bis(trimethylsilyl).

Find more compounds similar to «alpha»-Bisabolone oxide A.

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