Chemical Properties of 8.beta.(H)-Labdane

8.beta.(H)-Labdane

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InChI
InChI=1S/C20H38/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h15-18H,7-14H2,1-6H3/t15-,16+,17?,18?,20+/m0/s1
InChI Key
LEWJAHURGICVRE-ZTYBHYHHSA-N
Formula
C20H38
SMILES
CCC(C)CCC1C(C)CCC2C(C)(C)CCCC12C
Molecular Weight1
278.52
Sources

Physical Properties

Property Value Unit Source
Δf 154.07 kJ/mol Joback Calculated Property
Δfgas -370.99 kJ/mol Joback Calculated Property
Δfus 22.52 kJ/mol Joback Calculated Property
Δvap 57.01 kJ/mol Joback Calculated Property
logPoct/wat 6.69 Crippen Calculated Property
Pc 1294.86 kPa Joback Calculated Property
Tboil 673.59 K Joback Calculated Property
Tc 881.66 K Joback Calculated Property
Tfus 357.04 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 825.24 J/mol×K 673.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 3
>C< (ring) 2
-CH3 6
>CH- (ring) 3
-CH2- (ring) 5

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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