Chemical Properties of Cholesta-3,5-diene (CAS 747-90-0)

Cholesta-3,5-diene

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InChI
InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m0/s1
InChI Key
RLHIRZFWJBOHHD-OYZXCHQLSA-N
Formula
C27H44
SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4C=CCCC4(C)C3CCC12C
Molecular Weight1
368.64
CAS
747-90-0
Other Names
  • 3,5-Cholestadiene
  • Cholest-3,5-diene
  • Cholestadiene
  • Cholesterilene
  • D3,5-cholestadiene
  • «delta»(3,5)-Cholestadiene
Sources

Physical Properties

Property Value Unit Source
Δf 377.97 kJ/mol Joback Calculated Property
Δfgas -256.88 kJ/mol Joback Calculated Property
Δfus 32.28 kJ/mol Joback Calculated Property
Δvap 73.76 kJ/mol Joback Calculated Property
logPoct/wat 8.19 Crippen Calculated Property
Pc 1062.40 kPa Joback Calculated Property
Tboil 859.03 K Joback Calculated Property
Tc 1084.16 K Joback Calculated Property
Tfus 471.57 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1191.70 J/mol×K 859.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
=CH- (ring) 3
=C< (ring) 1
-CH2- 3
>C< (ring) 2
-CH3 5
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Stigmasta-3,5-diene. Cholesterol - H2O. 24-methyl-.delta.3,5-Cholestadiene. Stigmastan-3,5-diene. Stigmastan-3,5,22-trien. (2R,8R,8aS)-8,8a-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene. (-)-7-epi-Eremophila-1(10),8,11-triene. (-)-(4S,5R,7S)-7-epi-Eremophyla-1(10),8,11-triene. Isopatchoula-3,5-diene. Aristolediene. 1,1,7,7a-Tetramethyl-1a,2,6,7,7a,7b-hexahydro-1H-cyclopropa[a]naphthalene. .alpha.-Barbatenal. Abietadiene. 1-epi-.alpha.-Pinguisene. 1,7,7-TRIMETHYL-2-VINYLBICYCLO[2.2.1]HEPT-2-ENE.

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