Chemical Properties of 1,3,5-trichloroadamantane

1,3,5-trichloroadamantane

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InChI
InChI=1S/C10H13Cl3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7H,1-6H2
InChI Key
WJUXAPLLOUYXEF-UHFFFAOYSA-N
Formula
C10H13Cl3
SMILES
ClC12CC3CC(Cl)(C1)CC(Cl)(C3)C2
Molecular Weight1
239.57
Sources

Physical Properties

Property Value Unit Source
Δf 143.50 kJ/mol Joback Calculated Property
Δfgas -59.33 kJ/mol Joback Calculated Property
Δfus 8.73 kJ/mol Joback Calculated Property
Δvap 47.16 kJ/mol Joback Calculated Property
logPoct/wat 3.92 Crippen Calculated Property
Pc 3184.73 kPa Joback Calculated Property
Tboil 561.03 K Joback Calculated Property
Tc 821.78 K Joback Calculated Property
Tfus 409.98 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 366.38 J/mol×K 561.03 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Adamantane, 1,3-dichloro. Adamantane, 1-chloro-. 2-Chloroadamantane. Bicyclo[2.2.2]octane, 2-chloro-. 1-Chloro-1-methylcyclohexane. Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, [1S-(1«alpha»,2«beta»,4«beta»)]-. Adamantan-4-one, 1-chloro. 5-Chloro-5-methylnonane. Heptane, 3-chloro-3-methyl-. Bicyclo[2.2.1]heptane, 2-chloro-. Bicyclo[2.2.1]heptane, 2-chloro-, exo-. 4-Chloro-2,4-dimethylhexane. 2«alpha»-hydroxy-6«alpha»-chloro-trans-decalin. 2«beta»-hydroxy-6«beta»-chloro-trans-decalin. 2«beta»-hydroxy-6«alpha»-chloro-trans-decalin.

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