Chemical Properties of 1,2,4,5-[2.2.2.2]Cyclophane (CAS 54100-59-3)

1,2,4,5-[2.2.2.2]Cyclophane

InChI
InChI=1S/C20H20/c1-2-14-10-18-6-5-16-9-13(1)15-3-4-17(14)12-20(18)8-7-19(16)11-15/h9-12H,1-8H2
InChI Key
VKBBYQHRVDUAIS-UHFFFAOYSA-N
Formula
C20H20
SMILES
c1c2c3cc4c1CCc1cc(c(cc1CC4)CC3)CC2
Molecular Weight1
260.37
CAS
54100-59-3
Other Names
  • [2.2.2.2](1,2,4,5)Cyclophane
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Physical Properties

Property Value Unit Source
ΔfH°gas 185.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.60 kJ/mol Joback Calculated Property
ΔvapH° 116.59 kJ/mol Relay (1.0) Calculated Property
IE [7.35; 7.67] eV Show Hide
IE 7.35 eV NIST
IE 7.67 ± 0.02 eV NIST
logPoct/wat 3.768 Crippen Calculated Property
McVol 212.560 ml/mol McGowan Calculated Property
Tboil 688.71 K Relay (1.0) Calculated Property
Tfus 506.14 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [625.86; 722.28] J/mol×K [770.40; 1024.97] Show Hide
Cp,gas 625.86 J/mol×K 770.40 Joback Calculated Property
Cp,gas 643.61 J/mol×K 812.83 Joback Calculated Property
Cp,gas 660.36 J/mol×K 855.26 Joback Calculated Property
Cp,gas 676.35 J/mol×K 897.69 Joback Calculated Property
Cp,gas 691.84 J/mol×K 940.12 Joback Calculated Property
Cp,gas 707.06 J/mol×K 982.55 Joback Calculated Property
Cp,gas 722.28 J/mol×K 1024.97 Joback Calculated Property
η [0.0017962; 0.0033005] Pa×s [513.18; 770.40] Show Hide
η 0.0033005 Pa×s 513.18 Joback Calculated Property
η 0.0028679 Pa×s 556.05 Joback Calculated Property
η 0.0025427 Pa×s 598.92 Joback Calculated Property
η 0.0022908 Pa×s 641.79 Joback Calculated Property
η 0.0020911 Pa×s 684.66 Joback Calculated Property
η 0.0019294 Pa×s 727.53 Joback Calculated Property
η 0.0017962 Pa×s 770.40 Joback Calculated Property

Similar Compounds

2,5,3',6'-Tetramethyl-[2.2]paracyclophane. [2.2.2.2.2](1,2,3,4,5)Cyclophane. [2.2.2](1,2,4)Cyclophane. 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. [2.2.2.2](1,2,3,5)Cyclophane. Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,15-dimethyl-. [2.2.2.2](1,2,3,4)Cyclophane. Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,12-dimethyl-. 2-Methyl[2.2]paracyclophane. 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-. Dibenzo[a,e]cyclooctene, 5,6,11,12-tetrahydro-. Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-. BENZENE, 1,2,4,5-TETRAETHYL-.

Find more compounds similar to 1,2,4,5-[2.2.2.2]Cyclophane.

Sources

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