Chemical Properties of 2,3-Diazabicyclo[2.2.1]-hept-2-ene (CAS 2721-32-6)

InChI

InChI=1S/C5H8N2/c1-2-5-3-4(1)6-7-5/h4-5H,1-3H2

InChI Key

IJDUBDHNOXAHCQ-UHFFFAOYSA-N

Formula

C5H8N2

SMILES

C1CC2CC1N=N2

Molecular Weight¹

96.13

CAS

2721-32-6

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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
ΔcH°solid	-3262.90 ± 0.71	kJ/mol	NIST
ΔfG°	364.14	kJ/mol	Joback Calculated Property
ΔfH°gas	196.00	kJ/mol	NIST
ΔfH°solid	152.10	kJ/mol	NIST
ΔfusH°	14.37	kJ/mol	Joback Calculated Property
ΔsubH°	[43.89; 55.30]	kJ/mol
ΔsubH°	55.30 ± 0.60	kJ/mol	NIST
ΔsubH°	43.89	kJ/mol	NIST
ΔsubH°	43.90	kJ/mol	NIST
ΔvapH°	39.43	kJ/mol	Joback Calculated Property
IE	[8.45; 8.94]	eV
IE	8.45 ± 0.04	eV	NIST
IE	8.94	eV	NIST
IE	8.82	eV	NIST
log10WS	-1.19		Crippen Calculated Property
logPoct/wat	1.373		Crippen Calculated Property
McVol	75.250	ml/mol	McGowan Calculated Property
Pc	5289.26	kPa	Joback Calculated Property
Tboil	438.11	K	Joback Calculated Property
Tc	676.30	K	Joback Calculated Property
Tfus	322.31	K	Joback Calculated Property
Vc	0.305	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.35; 254.80]	J/mol×K	[438.11; 676.30]
Cp,gas	173.35	J/mol×K	438.11	Joback Calculated Property
Cp,gas	189.45	J/mol×K	477.81	Joback Calculated Property
Cp,gas	204.50	J/mol×K	517.51	Joback Calculated Property
Cp,gas	218.52	J/mol×K	557.21	Joback Calculated Property
Cp,gas	231.55	J/mol×K	596.90	Joback Calculated Property
Cp,gas	243.63	J/mol×K	636.60	Joback Calculated Property
Cp,gas	254.80	J/mol×K	676.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Diazabicyclo[2.2.1]-hept-2-ene.

Sources

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

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