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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[412.52; 493.25]	J/mol×K	[642.80; 905.43]
Cp,gas	412.52	J/mol×K	642.80	Joback Calculated Property
Cp,gas	429.21	J/mol×K	686.57	Joback Calculated Property
Cp,gas	444.42	J/mol×K	730.34	Joback Calculated Property
Cp,gas	458.29	J/mol×K	774.11	Joback Calculated Property
Cp,gas	470.95	J/mol×K	817.88	Joback Calculated Property
Cp,gas	482.55	J/mol×K	861.65	Joback Calculated Property
Cp,gas	493.25	J/mol×K	905.43	Joback Calculated Property
η	[0.0002560; 0.0015202]	Pa×s	[368.14; 642.80]
η	0.0015202	Pa×s	368.14	Joback Calculated Property
η	0.0009586	Pa×s	413.92	Joback Calculated Property
η	0.0006626	Pa×s	459.69	Joback Calculated Property
η	0.0004897	Pa×s	505.47	Joback Calculated Property
η	0.0003805	Pa×s	551.25	Joback Calculated Property
η	0.0003074	Pa×s	597.02	Joback Calculated Property
η	0.0002560	Pa×s	642.80	Joback Calculated Property
ΔfusH	30.71	kJ/mol	505.90	NIST
ΔsubH	92.00 ± 1.20	kJ/mol	330.50	NIST

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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