Chemical Properties of 7-Oxabicyclo[2.2.1]heptanone, 3,5,6-trimethylidene-

InChI

InChI=1S/C9H8O2/c1-4-5(2)9-7(10)6(3)8(4)11-9/h8-9H,1-3H2

InChI Key

HLQGJHVUXDBZQM-UHFFFAOYSA-N

Formula

C9H8O2

SMILES

C=C1C(=C)C2OC1C(=C)C2=O

Molecular Weight¹

148.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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

Property	Value	Unit	Source
ΔfusH°	17.25	kJ/mol	Joback Calculated Property
IE	[8.80; 9.20]	eV
IE	8.80	eV	NIST
IE	9.20	eV	NIST
logPoct/wat	1.005		Crippen Calculated Property
McVol	110.490	ml/mol	McGowan Calculated Property

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	[254.31; 317.89]	J/mol×K	[515.32; 737.13]
Cp,gas	254.31	J/mol×K	515.32	Joback Calculated Property
Cp,gas	266.44	J/mol×K	552.29	Joback Calculated Property
Cp,gas	277.93	J/mol×K	589.26	Joback Calculated Property
Cp,gas	288.81	J/mol×K	626.23	Joback Calculated Property
Cp,gas	299.08	J/mol×K	663.19	Joback Calculated Property
Cp,gas	308.77	J/mol×K	700.16	Joback Calculated Property
Cp,gas	317.89	J/mol×K	737.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[2.2.1]heptanone, 3,5,6-trimethylidene-.

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.
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