Chemical Properties of Cholestan-6-one, (5.alpha.)- (CAS 570-46-7)

Cholestan-6-one, (5.alpha.)-

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InChI
InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,26-,27-/m0/s1
InChI Key
WSSZZUWWCXSGKJ-GZSNNDGRSA-N
Formula
C27H46O
SMILES
CC(C)CCCC(C)C1CCC2C3CC(=O)C4CCCCC4(C)C3CCC12C
Molecular Weight1
386.65
CAS
570-46-7
Other Names
  • 5«alpha»-Cholestan-6-one
Sources

Physical Properties

Property Value Unit Source
Δf 197.38 kJ/mol Joback Calculated Property
Δfgas -519.01 kJ/mol Joback Calculated Property
Δfus 30.81 kJ/mol Joback Calculated Property
Δvap 76.45 kJ/mol Joback Calculated Property
logPoct/wat 7.68 Crippen Calculated Property
Pc 1025.31 kPa Joback Calculated Property
Tboil 918.88 K Joback Calculated Property
Tc 1150.52 K Joback Calculated Property
Tfus 521.51 K Joback Calculated Property
Vc 1.32 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1308.06 J/mol×K 918.88 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH3 5
-CH2- 3
>C< (ring) 2
>C=O (ring) 1
>CH- (ring) 5
-CH2- (ring) 9

Similar Compounds

5«alpha»-Dihydroprogesterone. Pregnane-3,20-dione, (5«beta»)-. trans-Isolongifolanone. 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-. 15-nor-Funebran-3-one. Cedranone. 9-Cedranone. (+)-(1S,3aR,7S,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-7,7a-dimethyl-1-(2-methylpropanonyl)-1H-indene. 15-nor-3-Gymnomitrone. Isocamphone. 22-Ketocholest-3-one. SPIRO[4.5]DECAN-7-ONE, 1,8-DIMETHYL-4-(1-METHYLETHYL)-. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1S)-. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1R)-. 1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyloctahydro-1H-4,7-methanoinden-1-yl)ethanone.

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