Chemical Properties of 3-sec-Butyl-5a,5b,8,8,11a,13b-hexamethyl-eicosahydro-cyclopenta[a]chrysene

3-sec-Butyl-5a,5b,8,8,11a,13b-hexamethyl-eicosahydro-cyclopenta[a]chrysene

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InChI
InChI=1S/C31H54/c1-9-21(2)22-13-18-28(5)23(22)14-19-30(7)25(28)11-12-26-29(6)17-10-16-27(3,4)24(29)15-20-31(26,30)8/h21-26H,9-20H2,1-8H3
InChI Key
QFBGIDMRCNNMIW-UHFFFAOYSA-N
Formula
C31H54
SMILES
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
Molecular Weight1
426.76
Sources

Physical Properties

Property Value Unit Source
Δf 372.85 kJ/mol Joback Calculated Property
Δfgas -386.91 kJ/mol Joback Calculated Property
Δfus 24.46 kJ/mol Joback Calculated Property
Δvap 77.51 kJ/mol Joback Calculated Property
logPoct/wat 9.52 Crippen Calculated Property
Pc 903.97 kPa Joback Calculated Property
Tboil 945.41 K Joback Calculated Property
Tc 1186.91 K Joback Calculated Property
Tfus 591.01 K Joback Calculated Property
Vc 1.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1530.77 J/mol×K 945.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 1
>C< (ring) 5
-CH3 8
>CH- (ring) 5
-CH2- (ring) 11

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. 17-«alpha»-H-bis-Homohopane, 22(S). 17«alpha»H-moretane. C32-Hopane, 17bH, 21aH, 22RS. C33-Hopane, 17aH, 21bH, 22R.

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