Chemical Properties of 2,3-Diazabicyclo[2.2.2]oct-2-ene (CAS 3310-62-1)

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

CAS

3310-62-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	360.46	kJ/mol	Joback Calculated Property
ΔfH°gas	165.83	kJ/mol	Joback Calculated Property
ΔfusH°	14.86	kJ/mol	Joback Calculated Property
ΔvapH°	41.83	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
log10WS	-1.61		Crippen Calculated Property
logPoct/wat	1.763		Crippen Calculated Property
McVol	89.340	ml/mol	McGowan Calculated Property
Pc	4782.59	kPa	Joback Calculated Property
Tboil	465.26	K	Joback Calculated Property
Tc	709.32	K	Joback Calculated Property
Tfus	330.06	K	Joback Calculated Property
Vc	0.353	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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