Chemical Properties of Pentacyclo[18.2.2.2(9,12).0(4,15).0(6,17)]hexacosa-4,6(17),9,11,15,20,22,23,25-nonane (CAS 35117-21-6)

Pentacyclo[18.2.2.2(9,12).0(4,15).0(6,17)]hexacosa-4,6(17),9,11,15,20,22,23,25-nonane

InChI
InChI=1S/C26H26/c1-2-21-10-14-25-17-24-13-9-20-6-4-19(5-7-20)8-12-23(25)18-26(24)15-11-22(3-1)16-21/h1-7,16-18H,8-15H2
InChI Key
REXZNBNRGIQZSK-UHFFFAOYSA-N
Formula
C26H26
SMILES
c1cc2cc(c1)CCc1cc3c(cc1CCc1ccc(cc1)CC3)CC2
Molecular Weight1
338.48
CAS
35117-21-6
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Physical Properties

Property Value Unit Source
ΔcH°solid -14230.90 ± 3.60 kJ/mol NIST
ΔfH°gas 409.70 ± 5.60 kJ/mol NIST
ΔfH°solid 283.80 ± 5.00 kJ/mol NIST
ΔfusH° 33.20 kJ/mol Joback Calculated Property
ΔsubH° [125.90; 125.90] kJ/mol Show Hide
ΔsubH° 125.90 kJ/mol NIST
ΔsubH° 125.90 ± 2.50 kJ/mol NIST
IE 7.46 eV Relay (1.0) Calculated Property
logPoct/wat 5.454 Crippen Calculated Property
McVol 284.200 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [910.73; 1012.36] J/mol×K [930.78; 1202.05] Show Hide
Cp,gas 910.73 J/mol×K 930.78 Joback Calculated Property
Cp,gas 929.95 J/mol×K 975.99 Joback Calculated Property
Cp,gas 947.92 J/mol×K 1021.20 Joback Calculated Property
Cp,gas 964.90 J/mol×K 1066.41 Joback Calculated Property
Cp,gas 981.14 J/mol×K 1111.62 Joback Calculated Property
Cp,gas 996.88 J/mol×K 1156.84 Joback Calculated Property
Cp,gas 1012.36 J/mol×K 1202.05 Joback Calculated Property
η [0.0001497; 0.0008681] Pa×s [561.96; 930.78] Show Hide
η 0.0008681 Pa×s 561.96 Joback Calculated Property
η 0.0005605 Pa×s 623.43 Joback Calculated Property
η 0.0003915 Pa×s 684.90 Joback Calculated Property
η 0.0002901 Pa×s 746.37 Joback Calculated Property
η 0.0002250 Pa×s 807.84 Joback Calculated Property
η 0.0001809 Pa×s 869.31 Joback Calculated Property
η 0.0001497 Pa×s 930.78 Joback Calculated Property
ΔsubH [119.10; 125.90] kJ/mol [355.50; 405.70] Show Hide
ΔsubH 119.10 ± 1.50 kJ/mol 355.50 NIST
ΔsubH 125.90 ± 2.50 kJ/mol 405.70 NIST

Similar Compounds

[2.2.2](1,2,4)Cyclophane. 2-Methyl[2.2]paracyclophane. Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,12-dimethyl-. [2.2.2.2](1,2,3,5)Cyclophane. [2.2.2.2](1,2,3,4)Cyclophane. Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,15-dimethyl-. 1,2,4,5-[2.2.2.2]Cyclophane. Dibenzo[a,e]cyclooctene, 5,6,11,12-tetrahydro-. [2.2.2.2.2](1,2,3,4,5)Cyclophane. Tricyclo[8.2.2.2<sup>4,7</sup>]hexadeca-4,6,10,12,13,15-hexaene,5,11,13,15-tetramethyl-,stereoisomer. 2,3,5',6'-Tetramethyl-[2.2]paracyclophane. Tricyclo[8.2.2.2<sup>4,7</sup>]hexadeca-6,10,12,13,15-hexaene, 5,6,11,12,13,15-hexamethyl-. Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-. 2,5,3',6'-Tetramethyl-[2.2]paracyclophane. 2,2-Metaparacyclophane.

Find more compounds similar to Pentacyclo[18.2.2.2(9,12).0(4,15).0(6,17)]hexacosa-4,6(17),9,11,15,20,22,23,25-nonane.

Sources

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