Chemical Properties of Bisabolol (isomer B)

Bisabolol (isomer B)

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InChI
InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14?,15-/m1/s1
InChI Key
WTVHAMTYZJGJLJ-YSSOQSIOSA-N
Formula
C15H26O
SMILES
CC(C)=CCCC(C)C1(O)CC=C(C)CC1
Molecular Weight1
222.37
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Physical Properties

Property Value Unit Source
Δf 47.12 kJ/mol Joback Calculated Property
Δfgas -287.14 kJ/mol Joback Calculated Property
Δfus 20.43 kJ/mol Joback Calculated Property
Δvap 65.55 kJ/mol Joback Calculated Property
log10WS -4.84 Crippen Calculated Property
logPoct/wat 4.230 Crippen Calculated Property
McVol 208.620 ml/mol McGowan Calculated Property
Pc 2010.90 kPa Joback Calculated Property
Inp 1649.00 NIST
Tboil 662.31 K Joback Calculated Property
Tc 860.22 K Joback Calculated Property
Tfus 330.15 K Joback Calculated Property
Vc 0.786 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [583.91; 679.38] J/mol×K [662.31; 860.22] Show Hide
Cp,gas 583.91 J/mol×K 662.31 Joback Calculated Property
Cp,gas 601.50 J/mol×K 695.29 Joback Calculated Property
Cp,gas 618.27 J/mol×K 728.28 Joback Calculated Property
Cp,gas 634.34 J/mol×K 761.26 Joback Calculated Property
Cp,gas 649.80 J/mol×K 794.25 Joback Calculated Property
Cp,gas 664.78 J/mol×K 827.23 Joback Calculated Property
Cp,gas 679.38 J/mol×K 860.22 Joback Calculated Property

Similar Compounds

epi- «beta»-Bisabolol. 3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-. 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)-. Terpinen-4-ol. (3E,7E,11E)-1-Isopropyl-4,8,12-trimethylcyclotetradeca-3,7,11-trienol. «alpha»-Bisabolol. Levomenol. epi-Cubenol. Cubenol. cis-Cubenol. 10-epi-Cubenol. 1,10-Di-epcubenol. 10-epi-Cubenol-12-nor-Ziza-6(13)-en-2-«beta»-ol. 1,10-di-epi-Cubenol. trans-Cubenol.

Find more compounds similar to Bisabolol (isomer B).

Sources

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