Chemical Properties of 1,3,4-Trimethyladamantane

1,3,4-Trimethyladamantane

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InChI
InChI=1S/C13H22/c1-9-11-4-10-5-12(2,7-11)8-13(9,3)6-10/h9-11H,4-8H2,1-3H3
InChI Key
BWGAFPQRFLNCLN-UHFFFAOYSA-N
Formula
C13H22
SMILES
CC1C2CC3CC(C)(C2)CC1(C)C3
Molecular Weight1
178.31
Other Names
  • 1,3,4-trimethyladamantane, trans
Sources

Physical Properties

Property Value Unit Source
Δf 202.33 kJ/mol Joback Calculated Property
Δfgas -109.61 kJ/mol Joback Calculated Property
Δfus 11.28 kJ/mol Joback Calculated Property
Δvap 41.52 kJ/mol Joback Calculated Property
logPoct/wat 3.86 Crippen Calculated Property
Pc 2433.84 kPa Joback Calculated Property
Tboil 512.47 K Joback Calculated Property
Tc 734.57 K Joback Calculated Property
Tfus 325.89 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 417.67 J/mol×K 512.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 2
-CH3 3
>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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