Chemical Properties of Sempervirol (CAS 1857-11-0)

Sempervirol

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InChI
InChI=1S/C20H30O/c1-13(2)15-12-16-14(11-17(15)21)7-8-18-19(3,4)9-6-10-20(16,18)5/h11-13,18,21H,6-10H2,1-5H3/t18?,20-/m1/s1
InChI Key
RSIJAQZNHHXEJZ-ROPPNANJSA-N
Formula
C20H30O
SMILES
CC(C)c1cc2c(cc1O)CCC1C(C)(C)CCCC21C
Molecular Weight1
286.45
CAS
1857-11-0
Sources

Physical Properties

Property Value Unit Source
Δf 132.22 kJ/mol Joback Calculated Property
Δfgas -281.71 kJ/mol Joback Calculated Property
Δfus 23.62 kJ/mol Joback Calculated Property
Δvap 73.90 kJ/mol Joback Calculated Property
logPoct/wat 5.55 Crippen Calculated Property
Pc 1869.17 kPa Joback Calculated Property
Tboil 791.65 K Joback Calculated Property
Tc 1034.71 K Joback Calculated Property
Tfus 535.74 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 807.54 J/mol×K 791.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ferruginol. cis-ferruginol. cis-Totarol. 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-. Pisiferol. 13-Isopropylpodocarpen-12-ol-20-al. 7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene. Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. 18-norabieta-8,11,13-triene. trans-Totarol, methyl ether. cis-Totarol, methyl ether. 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, acetate, (4bs-trans)-. 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-. 4b,8-Dimethyl-2-isopropylphenanthrene, 4b,5,6,7,8,8a,9,10-octahydro-. 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1«alpha»,4a«alpha»,10a«beta»)]-.

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