Chemical Properties of 1,6-Ethenocyclopenta[cd]pentaleno[2,1,6-gha]pentalene,1,1a,3a,3b,5a,5b,6,6a,6b,6c-decahydro- (CAS 66081-13-8)

InChI

InChI=1S/C16H16/c1-2-8-10-5-6-12-11-4-3-9-7(1)13(8)16(14(9)11)15(10)12/h1-16H

InChI Key

BDGDXZGHWJTCIG-UHFFFAOYSA-N

Formula

C16H16

SMILES

C1=CC2C3C=CC4C5C=CC6C1C2C(C65)C34

Molecular Weight¹

208.30

CAS

66081-13-8

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.67; 652.39]	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			-2.55770e+02
Coefficient B			2.17440e+00
Coefficient C			-2.00084e-03
Coefficient D			7.34600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.67	J/mol×K	273.00	Calculated Property
Cp,gas	295.59	J/mol×K	353.78	Calculated Property
Cp,gas	371.57	J/mol×K	434.56	Calculated Property
Cp,gas	433.95	J/mol×K	515.33	Calculated Property
Cp,gas	485.03	J/mol×K	596.11	Calculated Property
Cp,gas	527.14	J/mol×K	676.89	Calculated Property
Cp,gas	562.61	J/mol×K	757.67	Calculated Property
Cp,gas	593.76	J/mol×K	838.44	Calculated Property
Cp,gas	622.91	J/mol×K	919.22	Calculated Property
Cp,gas	652.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036068; 0.0557318]	Pa×s	[370.08; 560.45]	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			2.43500e+00
Coefficient B			-2.98282e+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.			370.08
Temperature range, max.			560.45
η	0.0036068	Pa×s	370.08	Calculated Property
η	0.0055766	Pa×s	391.23	Calculated Property
η	0.0082453	Pa×s	412.38	Calculated Property
η	0.0117346	Pa×s	433.54	Calculated Property
η	0.0161611	Pa×s	454.69	Calculated Property
η	0.0216330	Pa×s	475.84	Calculated Property
η	0.0282477	Pa×s	496.99	Calculated Property
η	0.0360901	Pa×s	518.14	Calculated Property
η	0.0452321	Pa×s	539.30	Calculated Property
η	0.0557318	Pa×s	560.45	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Ethenocyclopenta[cd]pentaleno[2,1,6-gha]pentalene,1,1a,3a,3b,5a,5b,6,6a,6b,6c-decahydro-.

Sources

• 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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