Chemical Properties of 2,3-DIOXABICYCLO[2.2.2]OCT-7-ENE

InChI

InChI=1S/C6H8O2/c1-2-6-4-3-5(1)7-8-6/h1-2,5-6H,3-4H2

InChI Key

AHUADBUKFJZUTM-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

C1=CC2CCC1OO2

Molecular Weight¹

112.13

• 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	[104.34; 299.65]	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			-7.08700e+01
Coefficient B			7.94400e-01
Coefficient C			-6.09680e-04
Coefficient D			1.85800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.34	J/mol×K	273.00	Calculated Property
Cp,gas	142.09	J/mol×K	353.78	Calculated Property
Cp,gas	174.46	J/mol×K	434.56	Calculated Property
Cp,gas	202.03	J/mol×K	515.33	Calculated Property
Cp,gas	225.39	J/mol×K	596.11	Calculated Property
Cp,gas	245.13	J/mol×K	676.89	Calculated Property
Cp,gas	261.84	J/mol×K	757.67	Calculated Property
Cp,gas	276.11	J/mol×K	838.44	Calculated Property
Cp,gas	288.51	J/mol×K	919.22	Calculated Property
Cp,gas	299.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018938; 0.0005764]	Pa×s	[240.12; 440.18]	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			-8.88636e+00
Coefficient B			6.28440e+02
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.			240.12
Temperature range, max.			440.18
η	0.0018938	Pa×s	240.12	Calculated Property
η	0.0015171	Pa×s	262.35	Calculated Property
η	0.0012582	Pa×s	284.58	Calculated Property
η	0.0010722	Pa×s	306.81	Calculated Property
η	0.0009336	Pa×s	329.04	Calculated Property
η	0.0008274	Pa×s	351.26	Calculated Property
η	0.0007438	Pa×s	373.49	Calculated Property
η	0.0006767	Pa×s	395.72	Calculated Property
η	0.0006219	Pa×s	417.95	Calculated Property
η	0.0005764	Pa×s	440.18	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-DIOXABICYCLO[2.2.2]OCT-7-ENE.

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.