Chemical Properties of Tetracyclo[4.2.2.22,5.01,6]dodeca-7,9-triene

Tetracyclo[4.2.2.22,5.01,6]dodeca-7,9-triene

InChI
InChI=1S/C12H14/c1-2-10-4-3-9(1)11-5-7-12(10,11)8-6-11/h5-10H,1-4H2
InChI Key
XGOOVFGSWURYBE-UHFFFAOYSA-N
Formula
C12H14
SMILES
C1=CC23C=CC12C1CCC3CC1
Molecular Weight1
158.24
Other Names
  • Tetracyclo[4.2.2.2
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 9.22 kJ/mol Joback Calculated Property
IE [8.30; 8.85] eV Show Hide
IE 8.30 eV NIST
IE 8.85 eV NIST
logPoct/wat 2.919 Crippen Calculated Property
McVol 127.900 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [145.47; 509.43] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.93410e+02
Coefficient B2.21920e+00
Coefficient C-2.54956e-03
Coefficient D1.13320e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 145.47 J/mol×K 273.00 Calculated Property
Cp,gas 222.77 J/mol×K 353.78 Calculated Property
Cp,gas 282.49 J/mol×K 434.56 Calculated Property
Cp,gas 328.22 J/mol×K 515.33 Calculated Property
Cp,gas 363.54 J/mol×K 596.11 Calculated Property
Cp,gas 392.03 J/mol×K 676.89 Calculated Property
Cp,gas 417.29 J/mol×K 757.67 Calculated Property
Cp,gas 442.88 J/mol×K 838.44 Calculated Property
Cp,gas 472.40 J/mol×K 919.22 Calculated Property
Cp,gas 509.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclopentene, 3-ethenyl-3-methyl-5-(1,5-dimethylhexyl)-4-(2,6,10-trimethylundecyl). Carota-5,8-diene. 4a,8a-Ethenonaphthalene, 1,2,3,4-tetrahydro-. 1-[(E)-1,4,7,10,11,14,15-heptamethyl-4-vinyl-5-hexadecenyl]-3,3,4-trimethyl-1-cyclohexene, isomer # 2. 1-[(E)-1,4,7,10,11,14,15-heptamethyl-4-vinyl-5-hexadecenyl]-3,3,4-trimethyl-1-cyclohexene, isomer # 1. Isohibaene. Hibaene. 17-Norkaur-15-ene, 13-methyl-, (8«beta»,13«beta»)-. 3a,7-Methano-3aH-cyclopentacyclooctene, 1,4,5,6,7,8,9,9a-octahydro-1,1,7-trimethyl-, [3aR-(3a«alpha»,7«alpha»,9a«beta»)]-. Helifolane (anti). 7-epi-Helifolane (syn). 4a,8a-Ethenonaphthalene, 1,2,3,4,5,8-hexahydro-. 1,1,6-trimethyl-3-methylene-2-(3,6,10,13,14-pentamethyl-3-ethenyl-pentadec-4-enye)cyclohexane. «delta»-Neoclovene. 1,4-Dihydrocuparene.

Find more compounds similar to Tetracyclo[4.2.2.22,5.01,6]dodeca-7,9-triene.

Sources

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.