Chemical Properties of Bisabolone (6S,7R)

Bisabolone (6S,7R)

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InChI
InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14?/m0/s1
InChI Key
KNOUERLLBMJGLF-LSLKUGRBSA-N
Formula
C15H24O
SMILES
CC(C)=CCCC(C)C1CCC(C)=CC1=O
Molecular Weight1
220.35
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Physical Properties

Property Value Unit Source
Δf 66.84 kJ/mol Joback Calculated Property
Δfgas -287.85 kJ/mol Joback Calculated Property
Δfus 22.15 kJ/mol Joback Calculated Property
Δvap 54.26 kJ/mol Joback Calculated Property
log10WS -4.50 Crippen Calculated Property
logPoct/wat 4.294 Crippen Calculated Property
McVol 204.320 ml/mol McGowan Calculated Property
Pc 1838.84 kPa Joback Calculated Property
Inp [1745.00; 1747.00]   Show Hide
Inp 1745.00 NIST
Inp 1747.00 NIST
Inp 1745.00 NIST
Tboil 637.71 K Joback Calculated Property
Tc 853.69 K Joback Calculated Property
Tfus 313.65 K Joback Calculated Property
Vc 0.776 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [555.22; 662.08] J/mol×K [637.71; 853.69] Show Hide
Cp,gas 555.22 J/mol×K 637.71 Joback Calculated Property
Cp,gas 575.88 J/mol×K 673.71 Joback Calculated Property
Cp,gas 595.37 J/mol×K 709.70 Joback Calculated Property
Cp,gas 613.70 J/mol×K 745.70 Joback Calculated Property
Cp,gas 630.91 J/mol×K 781.70 Joback Calculated Property
Cp,gas 647.03 J/mol×K 817.69 Joback Calculated Property
Cp,gas 662.08 J/mol×K 853.69 Joback Calculated Property

Similar Compounds

3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-enone. epi-«alpha»-Bisabol-1-one. 1-Bisabolon. (6S,7R)-Bisabolone. (6R,7R)-Bisabolone. 6R,7R-Bisabolone. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-. Isopiperitone. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-. 3-Oxo-p-menth-1-en-7-al. Carvenone. Curdione. Neocurdione. 2-Cyclohexen-1-one, 3-methyl-5-(1-methylethyl)-. Preisocalamendiol.

Find more compounds similar to Bisabolone (6S,7R).

Sources

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