Chemical Properties of Bicyclo[2.2.2]oct-2-ene (CAS 931-64-6)

Bicyclo[2.2.2]oct-2-ene

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C8H12/c1-2-8-5-3-7(1)4-6-8/h1-2,7-8H,3-6H2
InChI Key
VIQRCOQXIHFJND-UHFFFAOYSA-N
Formula
C8H12
SMILES
C1=CC2CCC1CC2
Molecular Weight1
108.18
CAS
931-64-6
Other Names
  • 2,2,2-Bicyclooctene-2
  • 3,6-Endoethylenecyclohexene
  • Bicyclo[2,2,2]-2-octene
  • Bicyclo[2.2.2]-2-octene
  • Bicyclo[2.2.2]octene
  • Cyclohexene, 3,6-endo-(1,2-ethanediyl)-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4839.72 ± 0.67 kJ/mol NIST
Δf 143.74 kJ/mol Joback Calculated Property
Δfgas 26.00 kJ/mol NIST
Δfgas 20.40 ± 0.79 kJ/mol NIST
Δfsolid -23.00 ± 0.67 kJ/mol NIST
Δfus 9.77 kJ/mol Joback Calculated Property
Δsub 43.40 kJ/mol NIST
Δvap 33.86 kJ/mol Joback Calculated Property
IE [8.92; 9.07] eV Show Hide
IE 8.92 eV NIST
IE 9.05 ± 0.02 eV NIST
IE 9.03 eV NIST
IE 9.07 eV NIST
logPoct/wat 2.363 Crippen Calculated Property
Pc 3718.02 kPa Joback Calculated Property
gas 316.30 J/mol×K NIST
solid,1 bar 210.46 J/mol×K NIST
Tboil 404.00 ± 3.00 K NIST
Tc 615.80 K Joback Calculated Property
Tfus 384.50 ± 0.50 K NIST
Ttriple 389.75 ± 0.01 K NIST
Vc 0.367 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 185.77 J/mol×K 403.62 Joback Calculated Property
Cp,solid 156.73 J/mol×K 298.15 NIST
η 0.0004467 Pa×s 403.62 Joback Calculated Property
ΔfusH 5.40 kJ/mol 389.8 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 2
-CH2- (ring) 4
=CH- (ring) 2

Similar Compounds

Cyclohexene,3-butyl-. Cyclohexene, 3-ethyl-. Cyclohexene, 3-pentyl-. Cyclohexene, 3-heptyl-. Cyclohexene, 3-octyl-. Cyclohexene,3-hexyl-. Cyclohexene, 3-nonyl-. Cyclohexene,3-propyl-. Cyclohexane, 1-propenyl-. 2-Octene, 4-ethyl-. Cyclohexene, 3-methyl-6-(1-methylethyl)-. 2-Menthene, cis. Cyclohexene, 3-methyl-6-(1-methylethyl)-, trans-. Bicyclo(3.3.1)non-2-ene. Tricyclo[4.2.2.2(2,5)]dodec-3-ene.

Find more compounds similar to Bicyclo[2.2.2]oct-2-ene.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.