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
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
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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [569.95; 694.16] J/mol×K [605.21; 828.70] Show Hide
Cp,gas 569.95 J/mol×K 605.21 Joback Calculated Property
Cp,gas 594.57 J/mol×K 642.46 Joback Calculated Property
Cp,gas 617.32 J/mol×K 679.71 Joback Calculated Property
Cp,gas 638.44 J/mol×K 716.96 Joback Calculated Property
Cp,gas 658.14 J/mol×K 754.20 Joback Calculated Property
Cp,gas 676.64 J/mol×K 791.45 Joback Calculated Property
Cp,gas 694.16 J/mol×K 828.70 Joback Calculated Property
η [0.0051736; 0.0627975] Pa×s [376.31; 605.21] Show Hide
η 0.0051736 Pa×s 376.31 Joback Calculated Property
η 0.0094983 Pa×s 414.46 Joback Calculated Property
η 0.0157405 Pa×s 452.61 Joback Calculated Property
η 0.0241148 Pa×s 490.76 Joback Calculated Property
η 0.0347396 Pa×s 528.91 Joback Calculated Property
η 0.0476466 Pa×s 567.06 Joback Calculated Property
η 0.0627975 Pa×s 605.21 Joback 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.