Chemical Properties of Tricyclo[4.2.1.02,5]non-3-ene (CAS 7078-40-2)

Tricyclo[4.2.1.02,5]non-3-ene

InChI
InChI=1S/C9H12/c1-2-7-5-6(1)8-3-4-9(7)8/h1-2,6-9H,3-5H2
InChI Key
XSKXEKKIOLQKBQ-UHFFFAOYSA-N
Formula
C9H12
SMILES
C1=CC2CC1C1CCC21
Molecular Weight1
120.19
CAS
7078-40-2
Other Names
  • Tricyclo[4.2.1.0(2,5)]non-7-ene
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Physical Properties

Property Value Unit Source
ΔfH°gas 168.08 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 15.76 kJ/mol Joback Calculated Property
ΔvapH° 42.08 kJ/mol Relay (1.0) Calculated Property
IE 9.00 eV NIST
logPoct/wat 2.219 Crippen Calculated Property
McVol 100.790 ml/mol McGowan Calculated Property
Tboil 425.29 K Relay (1.0) Calculated Property
Tfus 331.55 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [121.87; 398.22] 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-1.42300e+02
Coefficient B1.22900e+00
Coefficient C-1.05828e-03
Coefficient D3.69800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 121.87 J/mol×K 273.00 Calculated Property
Cp,gas 176.41 J/mol×K 353.78 Calculated Property
Cp,gas 222.27 J/mol×K 434.56 Calculated Property
Cp,gas 260.61 J/mol×K 515.33 Calculated Property
Cp,gas 292.60 J/mol×K 596.11 Calculated Property
Cp,gas 319.40 J/mol×K 676.89 Calculated Property
Cp,gas 342.20 J/mol×K 757.67 Calculated Property
Cp,gas 362.16 J/mol×K 838.44 Calculated Property
Cp,gas 380.44 J/mol×K 919.22 Calculated Property
Cp,gas 398.22 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0002633; 0.0010399] Pa×s [241.53; 441.15] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-5.20688e+00
Coefficient B-7.33090e+02
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.241.53
Temperature range, max.441.15
η 0.0002633 Pa×s 241.53 Calculated Property
η 0.0003399 Pa×s 263.71 Calculated Property
η 0.0004217 Pa×s 285.89 Calculated Property
η 0.0005073 Pa×s 308.07 Calculated Property
η 0.0005952 Pa×s 330.25 Calculated Property
η 0.0006844 Pa×s 352.43 Calculated Property
η 0.0007741 Pa×s 374.61 Calculated Property
η 0.0008636 Pa×s 396.79 Calculated Property
η 0.0009523 Pa×s 418.97 Calculated Property
η 0.0010399 Pa×s 441.15 Calculated Property

Similar Compounds

Dicyclopentadiene, 1,2-dihydro, endo. Dicyclopentadiene, 1,2-dihydro, exo. Tetrahydrotriquinacene. 1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,4a,5,8,8a,9,9a,10,10a-dodecahydro-(1«alpha»,4«alpha»,4a«beta»,5«beta»,8«beta»,8a«beta»,9«alpha»,9a«beta»,10«alpha»,10a«beta»)-. 1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,4a,5,8,8a,9,9a,10,10a-dodecahydro-(1«alpha»,4«alpha»,4a«alpha»,5«beta»,8«beta»8a«alpha»,9.beta,9a«alpha»,10«beta»,10a«alpha»)-. 1,4:5,8-dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-. 1,4:5,8-Dimethanonaphthalene, (1 alpha,4 alpha,4a beta,5 alpha,8 alpha,8a beta) 1,2,3,4,4a,5,8,8a-octahydro-. 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1«alpha»,4«alpha»,5«beta»,8«beta»)-. 1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,4a,5,8,8a,9,9a,10,10a-dodecahydro-(1«alpha»,4«alpha»,4a«alpha»,5«alpha»,8«alpha»,8a«alpha»,9«beta»,9a«alpha»,10«beta»,10a«alpha»)-. 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1«alpha»,4«alpha»,4a«alpha»,5«beta»,8«beta»,8a«alpha»)-. 1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1«alpha»,4«alpha»,4a«alpha»,5«beta»,8«beta»,8a«alpha»)-. 1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1«alpha»,4«alpha»,4a«alpha»,5«alpha»,8«alpha»,8a«alpha»)-. 1,4,5,8-Dimethanonaphthalene, 1,4,4a,5,8,8a-hexahydro-, (1«alpha»,4«alpha»,4a«beta»,5«alpha»,8«alpha»,8a«beta»)-. 1,4:5,8:9,10-Trimethanoanthracene, 1,4,4a,5,8,8a,9,9a,10,10a-decahydro-(1«alpha»,4«alpha»,4a«alpha»,5«alpha»,8«alpha»,8a«alpha»,9«alpha»,9a«beta»,10«alpha»,10a«beta»)-. 1,4:5,8:9,10-Trimethanoanthracene, 1,4,4a,5,8,8a,9,9a,10,10a-decahydro-(1«alpha»,4«alpha»,4a«alpha»,5«beta»,8«beta»,8a«alpha»,9«beta»,9a«alpha»,10«beta»,10a«alpha»)-.

Find more compounds similar to Tricyclo[4.2.1.02,5]non-3-ene.

Sources

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