Chemical Properties of 1-Methyladamantane (CAS 768-91-2)

1-Methyladamantane

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InChI
InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChI Key
UZUCFTVAWGRMTQ-UHFFFAOYSA-N
Formula
C11H18
SMILES
CC12CC3CC(CC(C3)C1)C2
Molecular Weight1
150.26
CAS
768-91-2
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6663.80 ± 1.30 kJ/mol NIST
Δcsolid -6658.00 ± 2.00 kJ/mol NIST
Δf 198.69 kJ/mol Joback Calculated Property
Δfgas -171.70 ± 2.60 kJ/mol NIST
Δfgas -171.50 ± 2.90 kJ/mol NIST
Δfsolid -237.30 ± 1.30 kJ/mol NIST
Δfsolid -243.00 ± 2.00 kJ/mol NIST
Δfus 11.32 kJ/mol Joback Calculated Property
Δsub [65.60; 71.50] kJ/mol Show Hide
Δsub 67.57 kJ/mol NIST
Δsub 65.60 kJ/mol NIST
Δsub 68.00 ± 1.00 kJ/mol NIST
Δsub 71.50 kJ/mol NIST
Δsub 67.80 ± 1.30 kJ/mol NIST
Δvap 38.53 kJ/mol Joback Calculated Property
IE 9.17 ± 0.02 eV NIST
IE 9.24 eV NIST
logPoct/wat 3.22 Crippen Calculated Property
Pc 2931.34 kPa Joback Calculated Property
Tboil 471.14 K Joback Calculated Property
Tc 691.15 K Joback Calculated Property
Tfus 392.00 ± 3.71 K NIST
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 319.89 J/mol×K 471.14 Joback Calculated Property
ΔfusH 1.91 kJ/mol 169.5 NIST
ΔfusH 1.47 kJ/mol 211.5 NIST
ΔfusH 3.71 kJ/mol 392.0 NIST
ΔsubH 67.60 ± 0.50 kJ/mol 321.0 NIST
ΔfusS 11.27 J/mol×K 169.5 NIST
ΔfusS 6.95 J/mol×K 211.5 NIST
ΔfusS 9.46 J/mol×K 392.0 NIST

Molecular Descriptors

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

Similar Compounds

1-ethyl-3,5,7-trimethyladamantane. 1,3-diethyl-5-methyladamantane. 1,3,5-Trimethyladamantane. 1-Methyl-3-ethyladamantane. Adamantane, 1,3-dimethyl-. Bis(ethylcyclohexyl)methane. 1-propyladamantane. 1-Ethyladamantane. 1,3,5,7-Tetramethyladamantane. 1-n-butyladamantane. 1,3-diethyl-5,7-dimethyladamantane. 5-methyl-adamantane. 1,3-Diethyladamantane. 1,3-Dimethyl-5-ethyladamantane. 5,5,7,7-Tetraethylundecane.

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