Chemical Properties of 1,3,5,7-Tetramethyladamantane (CAS 1687-36-1)

1,3,5,7-Tetramethyladamantane

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InChI
InChI=1S/C14H24/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12/h5-10H2,1-4H3
InChI Key
UJSORZVCMMYGBS-UHFFFAOYSA-N
Formula
C14H24
SMILES
CC12CC3(C)CC(C)(C1)CC(C)(C2)C3
Molecular Weight1
192.34
CAS
1687-36-1
Sources

Physical Properties

Property Value Unit Source
Δcsolid -8577.00 ± 2.00 kJ/mol NIST
Δcsolid -8560.00 ± 4.00 kJ/mol NIST
Δf 207.48 kJ/mol Joback Calculated Property
Δfgas -284.60 ± 6.90 kJ/mol NIST
Δfgas -282.10 ± 7.00 kJ/mol NIST
Δfsolid -362.10 ± 1.90 kJ/mol NIST
Δfsolid -379.00 ± 4.00 kJ/mol NIST
Δfus 0.20 kJ/mol Joback Calculated Property
Δsub [77.50; 96.90] kJ/mol Show Hide
Δsub 81.13 kJ/mol NIST
Δsub 77.50 kJ/mol NIST
Δsub 84.00 ± 1.00 kJ/mol NIST
Δsub 96.90 kJ/mol NIST
Δsub 83.70 ± 1.30 kJ/mol NIST
Δvap 41.76 kJ/mol Joback Calculated Property
IE 9.23 eV NIST
logPoct/wat 4.39 Crippen Calculated Property
Pc 2500.00 kPa Joback Calculated Property
Tboil 540.50 K Joback Calculated Property
Tc 777.93 K Joback Calculated Property
Tfus 337.20 ± 0.20 K NIST
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 466.97 J/mol×K 540.5 Joback Calculated Property
ΔfusH 0.23 kJ/mol 183.3 NIST
ΔfusH 9.82 kJ/mol 337.2 NIST
ΔsubH 81.00 ± 11.00 kJ/mol 305.0 NIST
ΔfusS 1.25 J/mol×K 183.3 NIST
ΔfusS 29.12 J/mol×K 337.2 NIST

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 4
-CH3 4
-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-n-butyladamantane. 1,3-diethyl-5,7-dimethyladamantane. 5-methyl-adamantane. 1-Methyladamantane. 1,3-Diethyladamantane. 1,3-Dimethyl-5-ethyladamantane. 5,5,7,7-Tetraethylundecane.

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