Chemical Properties of Santalol (CAS 11031-45-1)

Santalol

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InChI
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+
InChI Key
OJYKYCDSGQGTRJ-VZUCSPMQSA-N
Formula
C15H24O
SMILES
C=C1C2CCC(C2)C1(C)CCC=C(C)CO
Molecular Weight1
220.35
CAS
11031-45-1
Sources

Physical Properties

Property Value Unit Source
Δf 159.55 kJ/mol Joback Calculated Property
Δfgas -179.15 kJ/mol Joback Calculated Property
Δfus 25.37 kJ/mol Joback Calculated Property
Δvap 64.40 kJ/mol Joback Calculated Property
logPoct/wat 3.70 Crippen Calculated Property
Pc 2079.33 kPa Joback Calculated Property
Tboil 651.30 K Joback Calculated Property
Tc 845.06 K Joback Calculated Property
Tfus 366.29 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 565.45 J/mol×K 651.3 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Santalol, E-cis,epi-«beta»-. (E)-«beta»-Santalol. (Z)-epi-«beta»-Santalol. «beta»-Santalol. Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-. Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-endo)-. cis-«beta»-santalene. Santalene (major). Santalene (minor). (Z)-.beta.-Santalol. (E)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)pent-2-enoic acid. «beta»-Santanol acetate. (E)-«beta»-Santalol acetate. «beta»-Santalol acetate (Z). epi-«beta»-Santalol, acetate.

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