Chemical Properties of 1,5-Diazabicyclo[4.3.0]non-5-ene (CAS 3001-72-7)

InChI

InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2

InChI Key

SGUVLZREKBPKCE-UHFFFAOYSA-N

Formula

C7H12N2

SMILES

C1CN=C2CCCN2C1

Molecular Weight¹

124.18

CAS

3001-72-7

Other Names

• 1,5-diazobicyclo[4.3.0]non-5-ene
• 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
• Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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_boil : Boiling point at given pressure (K).
• T_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil	[358.84; 422.75]	K	[0.71; 12.14]
Tboil	358.84	K	0.71	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	364.01	K	0.91	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	364.61	K	0.92	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	371.35	K	1.39	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	372.05	K	1.41	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	379.14	K	1.87	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	387.20	K	2.81	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	387.81	K	2.86	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	390.96	K	3.37	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	393.33	K	3.88	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	400.15	K	5.11	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	402.06	K	5.53	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	404.85	K	6.11	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	407.93	K	7.15	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	412.15	K	8.11	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	415.55	K	9.40	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	417.65	K	10.12	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	422.75	K	12.14	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboilr	369.70	K	1.00	NIST

Similar Compounds

Find more compounds similar to 1,5-Diazabicyclo[4.3.0]non-5-ene.

Mixtures

• 1,5-Diazabicyclo[4.3.0]non-5-ene + Water

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
• Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
• McGowan Method
• NIST Webbook

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