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

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

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InChI
InChI=1S/C26H48/c1-8-10-19(2)11-13-21-20(3)12-14-23-25(21,6)18-15-22-24(4,5)16-9-17-26(22,23)7/h19-23H,8-18H2,1-7H3/t19-,20-,21+,22?,23?,25-,26-/m0/s1
InChI Key
LDBHPHKACOKILM-WYZVDPMTSA-N
Formula
C26H48
SMILES
CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C
Molecular Weight1
360.66
Sources

Physical Properties

Property Value Unit Source
Δf 240.04 kJ/mol Joback Calculated Property
Δfgas -433.29 kJ/mol Joback Calculated Property
Δfus 28.87 kJ/mol Joback Calculated Property
Δvap 68.99 kJ/mol Joback Calculated Property
logPoct/wat 8.50 Crippen Calculated Property
Pc 983.93 kPa Joback Calculated Property
Tboil 817.45 K Joback Calculated Property
Tc 1033.34 K Joback Calculated Property
Tfus 458.74 K Joback Calculated Property
Vc 1.31 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1195.20 J/mol×K 817.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 4
>C< (ring) 3
-CH3 7
>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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