Chemical Properties of 1-Adamantaneethanol (CAS 6240-11-5)

1-Adamantaneethanol

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InChI
InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2
InChI Key
ZBIDZPHRNBZTLT-UHFFFAOYSA-N
Formula
C12H20O
SMILES
OCCC12CC3CC(CC(C3)C1)C2
Molecular Weight1
180.29
CAS
6240-11-5
Other Names
  • 2-(tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol
  • Tricyclo[3.3.1.1(3,7)-]decane-1-ethanol
Sources

Physical Properties

Property Value Unit Source
Δf 70.29 kJ/mol Joback Calculated Property
Δfgas -236.10 kJ/mol Joback Calculated Property
Δfus 18.00 kJ/mol Joback Calculated Property
Δvap 57.44 kJ/mol Joback Calculated Property
logPoct/wat 2.59 Crippen Calculated Property
Pc 2918.68 kPa Joback Calculated Property
Tboil 586.20 K Joback Calculated Property
Tc 787.89 K Joback Calculated Property
Tfus 355.78 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 438.31 J/mol×K 586.2 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3,3-dimethylcyclohexaneethanol. 1-hydroxymethyladamantane. 1-Adamantanemethanol. 3,5-dimethyl-1-hydroxymethyladamantane. 4e-methyl-1e-hydroxymethyladamantane. .beta.-Cyclohomogeraniol, 3,4-dihydro. (3,3-dimethyl-1-cyclohexyl)-1-methanol. 3-methyl-1-adamantanol. 3,5-Dimethyl-1-adamantanol. 3-N-propyl-adamantol-1. 3,5,7-trimethyl-1-adamantanol. 3-butyl-1-adamantanol. 3-ethyl-5,7-dimethyl-1-adamantanol. 3-ethyl-1-adamantanol. Cyclohexanol, 3,3,5-trimethyl-.

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