Chemical Properties of [2.2.2](1,3,5)Cyclophane (CAS 27165-88-4)

[2.2.2](1,3,5)Cyclophane

InChI
InChI=1S/C18H18/c1-2-14-9-17-5-3-15-7-13(1)8-16(11-15)4-6-18(10-14)12-17/h7-12H,1-6H2
InChI Key
KGQZPENLTBITEJ-UHFFFAOYSA-N
Formula
C18H18
SMILES
c1c2cc3cc1CCc1cc(cc(c1)CC3)CC2
Molecular Weight1
234.34
CAS
27165-88-4
Other Names
  • Tetracyclo[6.6.2.1<sup>3,13</sup>.1<sup>6,10</sup>]octadeca-1,3(17),6,8,10(18),13-hexaene
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Physical Properties

Property Value Unit Source
ΔfH°gas 204.65 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.03 kJ/mol Joback Calculated Property
IE [7.70; 8.20] eV Show Hide
IE 8.20 ± 0.05 eV NIST
IE 7.88 eV NIST
IE 7.70 ± 0.02 eV NIST
logPoct/wat 3.669 Crippen Calculated Property
McVol 195.240 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 [540.92; 633.95] J/mol×K [707.54; 963.75] Show Hide
Cp,gas 540.92 J/mol×K 707.54 Joback Calculated Property
Cp,gas 559.24 J/mol×K 750.24 Joback Calculated Property
Cp,gas 576.19 J/mol×K 792.94 Joback Calculated Property
Cp,gas 591.94 J/mol×K 835.65 Joback Calculated Property
Cp,gas 606.69 J/mol×K 878.35 Joback Calculated Property
Cp,gas 620.62 J/mol×K 921.05 Joback Calculated Property
Cp,gas 633.95 J/mol×K 963.75 Joback Calculated Property
η [0.0006160; 0.0019344] Pa×s [439.90; 707.54] Show Hide
η 0.0019344 Pa×s 439.90 Joback Calculated Property
η 0.0014642 Pa×s 484.51 Joback Calculated Property
η 0.0011615 Pa×s 529.11 Joback Calculated Property
η 0.0009552 Pa×s 573.72 Joback Calculated Property
η 0.0008080 Pa×s 618.33 Joback Calculated Property
η 0.0006991 Pa×s 662.93 Joback Calculated Property
η 0.0006160 Pa×s 707.54 Joback Calculated Property

Similar Compounds

(2.2)Metacyclophane. 2,2-Metaparacyclophane. Benzene, 1,3,5-triethyl-. Benzene, 1,3-diethyl-5-methyl-. Benzonitrile, m-phenethyl-. Benzene, 1-ethyl-3,5-dimethyl-. Bibenzyl. Tricyclo[8.2.2.2<sup>4,7</sup>]hexadeca-4,6,10,12,13,15-hexaene,5,11,13,15-tetramethyl-,stereoisomer. [2.2.2.2](1,2,3,5)Cyclophane. 2-Methyl[2.2]paracyclophane. 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. Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,12-dimethyl-. [2.2.2](1,2,4)Cyclophane. Benzene, 1-(1,1-dimethylethyl)-3-ethyl-5-methyl-. Benzene, 1-ethyl-3,5-diisopropyl-.

Find more compounds similar to [2.2.2](1,3,5)Cyclophane.

Sources

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