Chemical Properties of Bicyclo[2.2.2]octane (CAS 280-33-1)

Bicyclo[2.2.2]octane

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InChI
InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2
InChI Key
GPRLTFBKWDERLU-UHFFFAOYSA-N
Formula
C8H14
SMILES
C1CC2CCC1CC2
Molecular Weight1
110.20
CAS
280-33-1
Other Names
  • 1,4-Endoethylenecyclohexane
  • Cyclohexane, 1,4-endo-(1,2-ethanediyl)-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5001.93 ± 0.88 kJ/mol NIST
Δf 113.78 kJ/mol Joback Calculated Property
Δfgas -99.04 ± 0.96 kJ/mol NIST
Δfsolid -147.10 ± 0.84 kJ/mol NIST
Δfus 8.55 kJ/mol Joback Calculated Property
Δsub 47.70 ± 0.80 kJ/mol NIST
Δsub 48.10 kJ/mol NIST
Δvap 33.57 kJ/mol Joback Calculated Property
IE [9.43; 9.53] eV Show Hide
IE 9.47 ± 0.04 eV NIST
IE 9.43 eV NIST
IE 9.45 ± 0.02 eV NIST
IE 9.53 eV NIST
logPoct/wat 2.587 Crippen Calculated Property
Pc 3560.02 kPa Joback Calculated Property
gas 324.70 ± 2.50 J/mol×K NIST
solid,1 bar 209.95 J/mol×K NIST
Tboil 404.46 K Joback Calculated Property
Tc 614.38 K Joback Calculated Property
Tfus 443.00 ± 5.00 K NIST
Ttriple 447.48 ± 0.01 K NIST
Vc 0.382 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 198.70 J/mol×K 404.46 Joback Calculated Property
Cp,solid 157.69 J/mol×K 298.15 NIST
η 0.0004750 Pa×s 404.46 Joback Calculated Property
ΔfusH 4.60 kJ/mol 164.3 NIST
ΔfusH 8.37 kJ/mol 447.5 NIST
ΔsubH 46.30 ± 0.80 kJ/mol 343.0 NIST
ΔfusS 28.01 J/mol×K 164.3 NIST
ΔfusS 18.70 J/mol×K 447.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 2
-CH2- (ring) 6

Similar Compounds

Cyclohexane, 1,4-diethyl. Undecane, 1-cyclohexyl-3-(2-cyclohexylethyl)-. 1-Methyl-4-propylcyclohexane, trans. Cyclohexane, 1-hexyl-4-tetradecyl. Heptadecane, 9-(2-cyclohexylethyl)-. Cyclohexane, 1-ethyl-4-methyl-, cis-. 1-Methyl-4-propylcyclohexane, cis. Cyclohexane, 1-dodecyl-4-octyl-. Cyclohexane, 1,1'-(1,2-ethanediyl)bis-. 1-Ethyl-4-methylcyclohexane. Cyclohexane, 1-ethyl-4-methyl-, trans-. 1,4-Diethylcyclohexane. Cyclohexane, 1,4-didecyl-. Cyclohexane, (3-methylpentyl)-. Cyclohexane, propyl-.

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