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

InChI

InChI=1S/C6H10N2/c1-2-6-4-3-5(1)7-8-6/h5-6H,1-4H2

InChI Key

JOHCCHGNXMXHPU-UHFFFAOYSA-N

Formula

C6H10N2

SMILES

C1CC2CCC1N=N2

Molecular Weight¹

110.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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
ΔfH°gas	172.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.86	kJ/mol	Joback Calculated Property
IE	[7.79; 8.19]	eV
IE	7.95	eV	NIST
IE	7.79 ± 0.04	eV	NIST
IE	8.19	eV	NIST
logPoct/wat	1.763		Crippen Calculated Property
McVol	89.340	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 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	[214.64; 307.52]	J/mol×K	[465.26; 709.32]
Cp,gas	214.64	J/mol×K	465.26	Joback Calculated Property
Cp,gas	233.02	J/mol×K	505.94	Joback Calculated Property
Cp,gas	250.19	J/mol×K	546.61	Joback Calculated Property
Cp,gas	266.20	J/mol×K	587.29	Joback Calculated Property
Cp,gas	281.07	J/mol×K	627.97	Joback Calculated Property
Cp,gas	294.83	J/mol×K	668.64	Joback Calculated Property
Cp,gas	307.52	J/mol×K	709.32	Joback Calculated Property

Similar Compounds

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

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.