Chemical Properties of 1,1'-Diphenyl-1,1'-bicyclopentyl (CAS 59358-70-2)

1,1'-Diphenyl-1,1'-bicyclopentyl

InChI
InChI=1S/C22H26/c1-3-11-19(12-4-1)21(15-7-8-16-21)22(17-9-10-18-22)20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2
InChI Key
MJIRQUDRSKNXSM-UHFFFAOYSA-N
Formula
C22H26
SMILES
c1ccc(C2(C3(c4ccccc4)CCCC3)CCCC2)cc1
Molecular Weight1
290.44
CAS
59358-70-2
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Physical Properties

Property Value Unit Source
ΔcH°solid -12343.00 ± 1.00 kJ/mol NIST
ΔfH°gas 111.00 ± 2.20 kJ/mol NIST
ΔfH°solid -30.00 ± 1.00 kJ/mol NIST
ΔfusH° 16.09 kJ/mol Joback Calculated Property
ΔsubH° [141.00; 141.00] kJ/mol Show Hide
ΔsubH° 141.00 kJ/mol NIST
ΔsubH° 141.00 kJ/mol NIST
ΔsubH° 141.00 kJ/mol NIST
ΔsubH° 141.00 kJ/mol NIST
IE 8.19 eV Relay (1.0) Calculated Property
logPoct/wat 6.010 Crippen Calculated Property
McVol 251.600 ml/mol McGowan Calculated Property
Tboil 655.58 K Relay (1.0) Calculated Property
Tfus [414.00; 414.00] K Show Hide
Tfus 414.00 ± 1.00 K NIST
Tfus 414.00 ± 1.00 K NIST

Cheméo can also estimate 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,solid 375.50 J/mol×K 298.00 NIST
ΔfusH [31.38; 31.38] kJ/mol [414.00; 414.00] Show Hide
ΔfusH 31.38 kJ/mol 414.00 NIST
ΔfusH 31.38 kJ/mol 414.00 NIST
ΔsubH [141.40; 141.40] kJ/mol [141.40; 141.40] Show Hide
ΔsubH 141.40 kJ/mol 141.40 NIST
ΔsubH 141.40 kJ/mol 141.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [283.36; 898.53] 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-3.05870e+02
Coefficient B2.78320e+00
Coefficient C-2.55540e-03
Coefficient D9.76600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 283.36 J/mol×K 273.00 Calculated Property
Cp,gas 402.18 J/mol×K 353.78 Calculated Property
Cp,gas 501.17 J/mol×K 434.56 Calculated Property
Cp,gas 583.43 J/mol×K 515.33 Calculated Property
Cp,gas 652.04 J/mol×K 596.11 Calculated Property
Cp,gas 710.10 J/mol×K 676.89 Calculated Property
Cp,gas 760.69 J/mol×K 757.67 Calculated Property
Cp,gas 806.90 J/mol×K 838.44 Calculated Property
Cp,gas 851.81 J/mol×K 919.22 Calculated Property
Cp,gas 898.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,1'-Diphenyl-1,1'-bicyclooctyl. 1,1'-Diphenyl-1,1'-bicyclohexyl. 1,5-DIPHENYLBICYCLO[3.2.0]HEPTANE. 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane. 4,5-Dipropyl-4,5-bis-(4-tert-butylphenyl)octane. 4,5-Diethyl-4,5-bis-(4-tert-butylphenyl)-octane. 2,4,5,7-Tetramethyl-4,5-bis(4-tert-butylphenyl)octane. Propane, 2-cyclohexyl-2-phenyl-. 3,4-Diethyl-3,4-bis(4-tert-butylphenyl)-hexane. «alpha»-Cuparene. Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-. Dibenzoequinene. Cuparenal. (ADAMANTYL-1)BENZENE. Phenol, 4-(1-ethyl-1,2-dimethylpentyl).

Find more compounds similar to 1,1'-Diphenyl-1,1'-bicyclopentyl.

Sources

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