Chemical Properties of 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»)- (CAS 87424-91-7)

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»)-

InChI
InChI=1S/C17H22/c1-2-9-5-8(1)14-12-7-13(15(9)14)17-11-4-3-10(6-11)16(12)17/h1-2,8-17H,3-7H2/t8-,9+,10-,11+,12-,13+,14+,15-,16-,17+
InChI Key
FUCGLOJSPSEIKX-JDEKWYGUSA-N
Formula
C17H22
SMILES
C1=CC2CC1C1C3CC(C21)C1C2CCC(C2)C31
Molecular Weight1
226.36
CAS
87424-91-7
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Physical Properties

Property Value Unit Source
ΔfH°gas 118.84 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.20 kJ/mol Joback Calculated Property
ΔvapH° 75.64 kJ/mol Relay (1.0) Calculated Property
IE 8.68 eV NIST
logPoct/wat 3.737 Crippen Calculated Property
McVol 180.930 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [232.94; 768.36] 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-2.77360e+02
Coefficient B2.37180e+00
Coefficient C-2.03428e-03
Coefficient D7.08200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 232.94 J/mol×K 273.00 Calculated Property
Cp,gas 338.48 J/mol×K 353.78 Calculated Property
Cp,gas 427.28 J/mol×K 434.56 Calculated Property
Cp,gas 501.59 J/mol×K 515.33 Calculated Property
Cp,gas 563.63 J/mol×K 596.11 Calculated Property
Cp,gas 615.66 J/mol×K 676.89 Calculated Property
Cp,gas 659.91 J/mol×K 757.67 Calculated Property
Cp,gas 698.61 J/mol×K 838.44 Calculated Property
Cp,gas 734.02 J/mol×K 919.22 Calculated Property
Cp,gas 768.36 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0051736; 0.0525731] Pa×s [376.31; 580.09] 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 A1.33614e+00
Coefficient B-2.48377e+03
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.376.31
Temperature range, max.580.09
η 0.0051736 Pa×s 376.31 Calculated Property
η 0.0075245 Pa×s 398.95 Calculated Property
η 0.0105121 Pa×s 421.59 Calculated Property
η 0.0141938 Pa×s 444.24 Calculated Property
η 0.0186148 Pa×s 466.88 Calculated Property
η 0.0238080 Pa×s 489.52 Calculated Property
η 0.0297948 Pa×s 512.16 Calculated Property
η 0.0365855 Pa×s 534.81 Calculated Property
η 0.0441808 Pa×s 557.45 Calculated Property
η 0.0525731 Pa×s 580.09 Calculated Property

Similar Compounds

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

Find more compounds similar to 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»)-.

Sources

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