Chemical Properties of Perhydrophenanthrene, 1B-butyl-2A,4bB,8,8,10aB-pentamethyl

Perhydrophenanthrene, 1B-butyl-2A,4bB,8,8,10aB-pentamethyl

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InChI
InChI=1S/C23H42/c1-7-8-10-18-17(2)11-12-20-22(18,5)16-13-19-21(3,4)14-9-15-23(19,20)6/h17-20H,7-16H2,1-6H3/t17-,18+,19?,20?,22-,23-/m1/s1
InChI Key
DANSPNRFCNAGDG-VFUCBVMXSA-N
Formula
C23H42
SMILES
CCCCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C
Molecular Weight1
318.58
Sources

Physical Properties

Property Value Unit Source
Δf 217.22 kJ/mol Joback Calculated Property
Δfgas -366.09 kJ/mol Joback Calculated Property
Δfus 24.62 kJ/mol Joback Calculated Property
Δvap 62.70 kJ/mol Joback Calculated Property
logPoct/wat 7.47 Crippen Calculated Property
Pc 1182.53 kPa Joback Calculated Property
Tboil 749.25 K Joback Calculated Property
Tc 969.54 K Joback Calculated Property
Tfus 439.93 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 998.61 J/mol×K 749.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 3
-CH2- 3
-CH3 6
>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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