Chemical Properties of butyrospermol acetylated

butyrospermol acetylated

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InChI
InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,22,24,27-28H,10,12-20H2,1-9H3/t22-,24-,27+,28+,30-,31+,32-/m0/s1
InChI Key
BQPPJGMMIYJVBR-BBVZBAMGSA-N
Formula
C32H52O2
SMILES
CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3
Molecular Weight1
468.75
Sources

Physical Properties

Property Value Unit Source
Δf 201.98 kJ/mol Joback Calculated Property
Δfgas -551.28 kJ/mol Joback Calculated Property
Δfus 37.30 kJ/mol Joback Calculated Property
Δvap 92.23 kJ/mol Joback Calculated Property
logPoct/wat 9.05 Crippen Calculated Property
Pc 841.62 kPa Joback Calculated Property
Tboil 1055.83 K Joback Calculated Property
Tc 1298.35 K Joback Calculated Property
Tfus 651.36 K Joback Calculated Property
Vc 1.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1654.54 J/mol×K 1055.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
=C< 1
>C=O (nonring) 1
=C< (ring) 2
-CH2- 2
=CH- 1
>C< (ring) 4
-CH3 9
>CH- (ring) 3
-CH2- (ring) 8

Similar Compounds

5.alpha.-tirucalla-8,23-dien-3.beta.-ol, acetylated. 24-Dihydrotirucallol acetate. 24-Methyl-31-norlanosterol acetate. Isoeuphenol acetate. Lanost-8-en-3-ol, acetate, (3«beta»,13«alpha»,14«beta»,17«alpha»)-. 24-Ethyl-31-nor-8,25-lanostadienol acetate. Tirucallol acetate. 24-Methylene-24-dihydrolanosterol acetate. 24-Ethyl-31-nor-8-lanostenol acetate. Isotirucallenol acetate. Euphol acetate. 31-Norlanosterol acetate. Lanost-8-en-3-ol, acetate, (3«beta»)-. 24-Methyl-24-dihydrolanosterol acetate. 31-Nor-8-lanostenol acetate.

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