Chemical Properties of Bisabolol oxide (CAS 11087-43-7)

Bisabolol oxide

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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
InChI Key
WJHRAVIQWFQMKF-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CC1=CCC(C2(C)CCC(O)C(C)(C)O2)CC1
Molecular Weight1
238.37
CAS
11087-43-7
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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
log10WS -4.19 Crippen Calculated Property
logPoct/wat 3.441 Crippen Calculated Property
McVol 207.930 ml/mol McGowan Calculated Property
Pc 2224.99 kPa Joback Calculated Property
Inp [1635.00; 1655.00]   Show Hide
Inp 1652.00 NIST
Inp 1652.00 NIST
Inp 1635.00 NIST
Inp 1652.00 NIST
Inp 1655.00 NIST
I [2084.00; 2162.00]   Show Hide
I 2133.00 NIST
I 2133.00 NIST
I Outlier 2084.00 NIST
I 2156.00 NIST
I 2162.00 NIST
I 2156.00 NIST
I 2133.00 NIST
Tboil 696.11 K Joback Calculated Property
Tc 915.11 K Joback Calculated Property
Tfus 413.56 K Joback Calculated Property
Vc 0.761 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [634.07; 750.18] J/mol×K [696.11; 915.11] Show Hide
Cp,gas 634.07 J/mol×K 696.11 Joback Calculated Property
Cp,gas 654.68 J/mol×K 732.61 Joback Calculated Property
Cp,gas 674.52 J/mol×K 769.11 Joback Calculated Property
Cp,gas 693.78 J/mol×K 805.61 Joback Calculated Property
Cp,gas 712.67 J/mol×K 842.11 Joback Calculated Property
Cp,gas 731.40 J/mol×K 878.61 Joback Calculated Property
Cp,gas 750.18 J/mol×K 915.11 Joback Calculated Property

Similar Compounds

«alpha»-Bisabolone oxide A. 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3«alpha»,6«alpha»(R*)]]-. «alpha»-Bisabolone oxide A. Bisabolol oxide B. 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]-. Incensole. Isoincensole. Incensole. Incensole oxide. Shiromool. Sobrerol 8-acetate. Imcensole acetate. Isoincensole acetate. GA34, methyl ester. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione.

Find more compounds similar to Bisabolol oxide.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.