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

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

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InChI
InChI=1S/C29H54/c1-21(2)11-9-12-22(3)13-15-24-23(4)14-16-26-28(24,7)20-17-25-27(5,6)18-10-19-29(25,26)8/h21-26H,9-20H2,1-8H3/t22-,23-,24+,25?,26?,28-,29-/m0/s1
InChI Key
ODDWOZCOVPOZCZ-ROZAETHSSA-N
Formula
C29H54
SMILES
CC(C)CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C
Molecular Weight1
402.74
Sources

Physical Properties

Property Value Unit Source
Δf 262.86 kJ/mol Joback Calculated Property
Δfgas -500.49 kJ/mol Joback Calculated Property
Δfus 33.11 kJ/mol Joback Calculated Property
Δvap 75.28 kJ/mol Joback Calculated Property
logPoct/wat 9.52 Crippen Calculated Property
Pc 831.46 kPa Joback Calculated Property
Tboil 885.65 K Joback Calculated Property
Tc 1100.89 K Joback Calculated Property
Tfus 477.55 K Joback Calculated Property
Vc 1.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1402.26 J/mol×K 885.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH2- 5
>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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