Chemical Properties of Perhydrophenanthrene, 1B-(3S,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl

Perhydrophenanthrene, 1B-(3S,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl

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InChI
InChI=1S/C30H56/c1-9-22(2)12-10-13-23(3)14-16-25-24(4)15-17-27-29(25,7)21-18-26-28(5,6)19-11-20-30(26,27)8/h22-27H,9-21H2,1-8H3/t22?,23-,24+,25-,26?,27?,29+,30+/m1/s1
InChI Key
LKFHRJUTBBHMDC-WMKZCOPOSA-N
Formula
C30H56
SMILES
CCC(C)CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C
Molecular Weight1
416.77
Sources

Physical Properties

Property Value Unit Source
Δf 271.28 kJ/mol Joback Calculated Property
Δfgas -521.13 kJ/mol Joback Calculated Property
Δfus 35.70 kJ/mol Joback Calculated Property
Δvap 77.51 kJ/mol Joback Calculated Property
logPoct/wat 9.91 Crippen Calculated Property
Pc 787.27 kPa Joback Calculated Property
Tboil 908.53 K Joback Calculated Property
Tc 1123.97 K Joback Calculated Property
Tfus 488.82 K Joback Calculated Property
Vc 1.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1473.55 J/mol×K 908.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH2- 6
>C< (ring) 3
-CH3 8
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Perhydrophenanthrene, 1B-(3R-methyloctyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-isopentyl-2A,4bB,8,8,10aB-pentamethyl. 3,4-dimethyl-diamantane. 1,3,5,6-Tetramethyladamantane. Decahydro-4,4,8,9,10-pentamethylnaphthalene. onocerane-III. Perhydrophenanthrene, 1A-(3R/S-methyloctyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1B-(3R,7-dimethyldecyl)-2A,4bB,8,8,10aB-pentamethyl. 7-Ethyl-1,1,4a,7-tetramethyl-tetradecahydro-phenanthrene. Onocerane III (8-«alpha»-H, 14-«beta»-H). Perhydrophenanthrene, 1B-(3R,7-dimethylnonyl)-2A,4bB,8,8,10aB-pentamethyl. Perhydrophenanthrene, 1A-(3R/S-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl. Naphthalene, decahydro-1,8a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,7«beta»,8a«alpha»)]-. 7-Isopropyl-1,1,4a-trimethyl-tetradecahydro-phenanthrene. Perhydrophenanthrene, 1A-(3R/S,7-dimethyldecyl)-2A,4bB,8,8,10aB-pentamethyl.

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