Chemical Properties of Pentacyclo[10.2.2.25,8.02,4.09,11]octadeca-5,7,12,15,17-hexaene-

InChI

InChI=1S/C18H16/c1-2-12-4-3-11(1)15-9-17(15)13-5-7-14(8-6-13)18-10-16(12)18/h1-8,15-18H,9-10H2

InChI Key

DOPCIYVVYMITKB-UHFFFAOYSA-N

Formula

C18H16

SMILES

c1cc2ccc1C1CC1c1ccc(cc1)C1CC21

Molecular Weight¹

232.33

Other Names

• 7,8:7',8'-bismethano-[2.2]paracyclophane
• Pentacyclo[10.2.2.2

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.46	kJ/mol	Joback Calculated Property
IE	[7.40; 7.90]	eV
IE	7.40	eV	NIST
IE	7.90	eV	NIST
logPoct/wat	4.542		Crippen Calculated Property
McVol	184.380	ml/mol	McGowan Calculated Property
Tboil	627.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[224.53; 645.37]	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			-1.82110e+02
Coefficient B			1.89200e+00
Coefficient C			-1.62812e-03
Coefficient D			5.63600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.53	J/mol×K	273.00	Calculated Property
Cp,gas	308.42	J/mol×K	353.78	Calculated Property
Cp,gas	378.87	J/mol×K	434.56	Calculated Property
Cp,gas	437.66	J/mol×K	515.33	Calculated Property
Cp,gas	486.57	J/mol×K	596.11	Calculated Property
Cp,gas	527.39	J/mol×K	676.89	Calculated Property
Cp,gas	561.89	J/mol×K	757.67	Calculated Property
Cp,gas	591.87	J/mol×K	838.44	Calculated Property
Cp,gas	619.10	J/mol×K	919.22	Calculated Property
Cp,gas	645.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045382; 0.0065205]	Pa×s	[430.64; 647.72]	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			-4.31386e+00
Coefficient B			-4.65680e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			430.64
Temperature range, max.			647.72
η	0.0045382	Pa×s	430.64	Calculated Property
η	0.0048061	Pa×s	454.76	Calculated Property
η	0.0050605	Pa×s	478.88	Calculated Property
η	0.0053020	Pa×s	503.00	Calculated Property
η	0.0055315	Pa×s	527.12	Calculated Property
η	0.0057495	Pa×s	551.24	Calculated Property
η	0.0059568	Pa×s	575.36	Calculated Property
η	0.0061539	Pa×s	599.48	Calculated Property
η	0.0063416	Pa×s	623.60	Calculated Property
η	0.0065205	Pa×s	647.72	Calculated Property

Similar Compounds

Find more compounds similar to Pentacyclo[10.2.2.25,8.02,4.09,11]octadeca-5,7,12,15,17-hexaene-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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