Chemical Properties of labd-7,13-(E)-dien-15-ol

labd-7,13-(E)-dien-15-ol

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InChI
InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18?,20+/m0/s1
InChI Key
KPOGKOXAZMFZNM-ATJFKVBJSA-N
Formula
C20H34O
SMILES
CC(=CCO)CCC1C(C)=CCC2C(C)(C)CCCC12C
Molecular Weight1
290.48
Sources

Physical Properties

Property Value Unit Source
Δf 119.40 kJ/mol Joback Calculated Property
Δfgas -343.86 kJ/mol Joback Calculated Property
Δfus 28.79 kJ/mol Joback Calculated Property
Δvap 75.38 kJ/mol Joback Calculated Property
logPoct/wat 5.50 Crippen Calculated Property
Pc 1497.67 kPa Joback Calculated Property
Tboil 779.06 K Joback Calculated Property
Tc 985.17 K Joback Calculated Property
Tfus 431.34 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 858.87 J/mol×K 779.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< 1
=CH- (ring) 1
-OH (alcohol) 1
=C< (ring) 1
-CH2- 3
=CH- 1
>C< (ring) 2
-CH3 5
>CH- (ring) 2
-CH2- (ring) 4

Similar Compounds

labda-7,13(E)-dien-15-ol. labd-7,13-dien-15-ol. 15-nor-Labd-7-ene. 7-epi-«alpha»Selinene. Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2«alpha»,4a«alpha»,8a«beta»)]-. ent-«alpha»-selinene. Naphthalene, 3,4,4a,5,6,7,8,8a-octahydro-7-isopropylene-1,4a-dimethyl-. 10-epi-«alpha»-selinene. (-)-«alpha»-helmiscapene. 7-epi--Selinene. epi-«alpha»-Selinene. Selina-4,11-diene. 7-epi-«alpha»-Selinene. «beta»-Helmiscapene. (4aS,5S,8aS)-5-Isopentyl-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

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