Chemical Properties of C33-Hopane, 17aH, 21bH, 22S

C33-Hopane, 17aH, 21bH, 22S

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InChI
InChI=1S/C33H58/c1-9-10-12-23(2)24-15-20-30(5)25(24)16-21-32(7)27(30)13-14-28-31(6)19-11-18-29(3,4)26(31)17-22-33(28,32)8/h23-28H,9-22H2,1-8H3/t23-,24+,25+,26?,27?,28?,30-,31-,32+,33+/m1/s1
InChI Key
KTWXNNDHFXEEFL-AZENOIHOSA-N
Formula
C33H58
SMILES
CCCCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
Molecular Weight1
454.81
Sources

Physical Properties

Property Value Unit Source
Δf 389.69 kJ/mol Joback Calculated Property
Δfgas -428.19 kJ/mol Joback Calculated Property
Δfus 29.64 kJ/mol Joback Calculated Property
Δvap 81.96 kJ/mol Joback Calculated Property
logPoct/wat 10.30 Crippen Calculated Property
Pc 807.99 kPa Joback Calculated Property
Tboil 991.17 K Joback Calculated Property
Tc 1229.95 K Joback Calculated Property
Tfus 613.55 K Joback Calculated Property
Vc 1.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1689.90 J/mol×K 991.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 3
>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. 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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