Chemical Properties of Kolavelool (2 epimers)

Kolavelool (2 epimers)

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InChI
InChI=1S/C21H36O/c1-16(12-15-22-6)10-13-20(4)18(3)11-14-21(5)17(2)8-7-9-19(20)21/h8,12,18-19H,7,9-11,13-15H2,1-6H3/b16-12+/t18-,19-,20+,21+/m1/s1
InChI Key
YAJBRZZIZBUICV-COIMSNGRSA-N
Formula
C21H36O
SMILES
COCC=C(C)CCC1(C)C(C)CCC2(C)C(C)=CCCC21
Molecular Weight1
304.51
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Physical Properties

Property Value Unit Source
Δf 159.64 kJ/mol Joback Calculated Property
Δfgas -344.49 kJ/mol Joback Calculated Property
Δfus 28.47 kJ/mol Joback Calculated Property
Δvap 63.34 kJ/mol Joback Calculated Property
log10WS -6.23 Crippen Calculated Property
logPoct/wat 6.158 Crippen Calculated Property
McVol 282.300 ml/mol McGowan Calculated Property
Pc 1285.59 kPa Joback Calculated Property
Inp 2050.00 NIST
Tboil 732.18 K Joback Calculated Property
Tc 944.77 K Joback Calculated Property
Tfus 404.02 K Joback Calculated Property
Vc 1.073 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [871.61; 1013.68] J/mol×K [732.18; 944.77] Show Hide
Cp,gas 871.61 J/mol×K 732.18 Joback Calculated Property
Cp,gas 896.49 J/mol×K 767.61 Joback Calculated Property
Cp,gas 920.60 J/mol×K 803.04 Joback Calculated Property
Cp,gas 944.15 J/mol×K 838.47 Joback Calculated Property
Cp,gas 967.36 J/mol×K 873.90 Joback Calculated Property
Cp,gas 990.47 J/mol×K 909.33 Joback Calculated Property
Cp,gas 1013.68 J/mol×K 944.77 Joback Calculated Property

Similar Compounds

Kolavenol. Methyl kolavenate. Kolavenol acetate. E-Eremophila-1(10),7(11)-dien-12-yl methyl ether. Labda-8,13-(E)-dien-15-ol. Spirovetiva-3,7(11)-dien-12-yl methyl ether. Valencene (isomer I). Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1«alpha»,7«alpha»,8a«alpha»)]-. Valencene (isomer II). Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-. (E)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl formate. labd-7,13-dien-15-ol. labda-7,13(E)-dien-15-ol. labd-7,13-(E)-dien-15-ol. 24-Norursa-3,12-diene.

Find more compounds similar to Kolavelool (2 epimers).

Sources

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