Chemical Properties of Bicyclooctyl-3,3'-diene

InChI

InChI=1S/C16H26/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h3,5,7,9,15-16H,1-2,4,6,8,10-14H2/b7-3-,9-5-

InChI Key

SNIUWVJGQPWRBT-DLYLGUBQSA-N

Formula

C16H26

SMILES

C1=C/CC(C2C/C=C/CCCC2)CCCC/1

Molecular Weight¹

218.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[236.15; 759.45]	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			-1.47790e+02
Coefficient B			1.61760e+00
Coefficient C			-7.97560e-04
Coefficient D			8.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.15	J/mol×K	273.00	Calculated Property
Cp,gas	328.52	J/mol×K	353.78	Calculated Property
Cp,gas	411.69	J/mol×K	434.56	Calculated Property
Cp,gas	485.94	J/mol×K	515.33	Calculated Property
Cp,gas	551.54	J/mol×K	596.11	Calculated Property
Cp,gas	608.76	J/mol×K	676.89	Calculated Property
Cp,gas	657.89	J/mol×K	757.67	Calculated Property
Cp,gas	699.20	J/mol×K	838.44	Calculated Property
Cp,gas	732.96	J/mol×K	919.22	Calculated Property
Cp,gas	759.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0168318; 0.0000654]	Pa×s	[272.28; 610.60]	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			-1.41017e+01
Coefficient B			2.72750e+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.			272.28
Temperature range, max.			610.60
η	0.0168318	Pa×s	272.28	Calculated Property
η	0.0049931	Pa×s	309.87	Calculated Property
η	0.0019267	Pa×s	347.46	Calculated Property
η	0.0008954	Pa×s	385.05	Calculated Property
η	0.0004768	Pa×s	422.64	Calculated Property
η	0.0002815	Pa×s	460.23	Calculated Property
η	0.0001799	Pa×s	497.82	Calculated Property
η	0.0001225	Pa×s	535.42	Calculated Property
η	0.0000877	Pa×s	573.01	Calculated Property
η	0.0000654	Pa×s	610.60	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclooctyl-3,3'-diene.

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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