Chemical Properties of 4,14-dimethylcholestane

4,14-dimethylcholestane

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InChI
InChI=1S/C29H52/c1-20(2)10-8-11-22(4)24-15-18-29(7)26-14-13-23-21(3)12-9-17-27(23,5)25(26)16-19-28(24,29)6/h20-26H,8-19H2,1-7H3/t21?,22-,23+,24-,25?,26?,27+,28-,29?/m0/s1
InChI Key
XZFBGOMDJSAVQA-BWBBPVGKSA-N
Formula
C29H52
SMILES
CC(C)CCCC(C)C1CCC2(C)C3CCC4C(C)CCCC4(C)C3CCC12C
Molecular Weight1
400.72
Sources

Physical Properties

Property Value Unit Source
Δf 323.61 kJ/mol Joback Calculated Property
Δfgas -427.69 kJ/mol Joback Calculated Property
Δfus 31.25 kJ/mol Joback Calculated Property
Δvap 75.20 kJ/mol Joback Calculated Property
logPoct/wat 9.13 Crippen Calculated Property
Pc 897.49 kPa Joback Calculated Property
Tboil 892.39 K Joback Calculated Property
Tc 1115.87 K Joback Calculated Property
Tfus 495.49 K Joback Calculated Property
Vc 1.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1388.31 J/mol×K 892.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH2- 3
>C< (ring) 3
-CH3 7
>CH- (ring) 5
-CH2- (ring) 9

Similar Compounds

C31-Hopane, 17bH, 21bH. 17«beta»(H),21«alpha»(H)-Homomoretane. C35 17A,21B,22S-Hopane. moretane. 1H-Cyclopenta[a]phenanthrene, 17-(1,5-dimethylhexyl)hexadecahydro-4,4,10,13,14-pentamethyl-, [5S-[5«alpha»,8«beta»,9«alpha»,10«beta»,13«beta»,14«alpha»,17«beta»(S*)]]-. 4,14,24-trimethylcholestane. C35 17A,21B,22R-Hopane. 17-«alpha»-H-Homohopane, 22(R). C32-25-Norhopane, 17aH, 21bH, 22R. C33-25-Norhopane, 17aH, 21bH, 22R. Isolongifolene, 4,5,9,10-tetrahydro. 3-sec-Butyl-5a,5b,8,8,11a,13b-hexamethyl-eicosahydro-cyclopenta[a]chrysene. 17-«alpha»-H-bis-Homohopane, 22(S). 17«alpha»H-moretane. C32-Hopane, 17bH, 21aH, 22RS.

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