Chemical Properties of Tricyclo[8.2.2.2(4,7)]hexadeca-2,4,6,8,10,12,13,15-octaene (CAS 6572-60-7)

InChI

InChI=1S/C16H12/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-12H/b10-9-,12-11-,13-9-,14-11-,15-10-,16-12-

InChI Key

YLCDUOJDMCMBJY-YFDRDTFESA-N

Formula

C16H12

SMILES

C1=Cc2ccc(cc2)C=Cc2ccc1cc2

Molecular Weight¹

204.27

CAS

6572-60-7

Other Names

• [2.2]-Paracyclophane-1,9-diene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.94; 513.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.66100e+01
Coefficient B			1.30280e+00
Coefficient C			-9.78680e-04
Coefficient D			2.86400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.94	J/mol×K	273.00	Calculated Property
Cp,gas	254.48	J/mol×K	353.78	Calculated Property
Cp,gas	308.22	J/mol×K	434.56	Calculated Property
Cp,gas	354.06	J/mol×K	515.33	Calculated Property
Cp,gas	392.90	J/mol×K	596.11	Calculated Property
Cp,gas	425.65	J/mol×K	676.89	Calculated Property
Cp,gas	453.23	J/mol×K	757.67	Calculated Property
Cp,gas	476.52	J/mol×K	838.44	Calculated Property
Cp,gas	496.45	J/mol×K	919.22	Calculated Property
Cp,gas	513.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015202; 0.0002646]	Pa×s	[368.14; 633.99]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.06585e+01
Coefficient B			1.53502e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			368.14
Temperature range, max.			633.99
η	0.0015202	Pa×s	368.14	Calculated Property
η	0.0011153	Pa×s	397.68	Calculated Property
η	0.0008541	Pa×s	427.22	Calculated Property
η	0.0006770	Pa×s	456.76	Calculated Property
η	0.0005520	Pa×s	486.30	Calculated Property
η	0.0004607	Pa×s	515.84	Calculated Property
η	0.0003921	Pa×s	545.38	Calculated Property
η	0.0003393	Pa×s	574.92	Calculated Property
η	0.0002978	Pa×s	604.46	Calculated Property
η	0.0002646	Pa×s	633.99	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[8.2.2.2(4,7)]hexadeca-2,4,6,8,10,12,13,15-octaene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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