Chemical Properties of Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro- (CAS 6674-22-2)

InChI

InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2

InChI Key

GQHTUMJGOHRCHB-UHFFFAOYSA-N

Formula

C9H16N2

SMILES

C1CCC2=NCCCN2CC1

Molecular Weight¹

152.24

CAS

6674-22-2

Other Names

• 1,5-Diaza(5,4,0)undec-5-ene
• 1,5-Diazabicyclo[5.4.0]-5-undecene
• 1,5-Diazabicyclo[5.4.0]undec-5-ene
• 1,8-Diazabicyclo[5.4.0]undec-7-ene
• 1,8-diaza-7-bicyclo[5.4.0]undecene
• 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-«alpha»)azepine
• 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
• DBU
• Diazabicycloundecene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• η : Dynamic viscosity (Pa×s).
• 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).
• ρ_l : Liquid Density (kg/m³).
• γ : Surface Tension (N/m).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0049100; 0.0153500]	Pa×s	[288.10; 328.10]
η	0.0153500	Pa×s	288.10	Studies on viscosity and conductivity of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 328.1 K
η	0.0103200	Pa×s	298.10	Studies on viscosity and conductivity of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 328.1 K
η	0.0081700	Pa×s	308.10	Studies on viscosity and conductivity of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 328.1 K
η	0.0060800	Pa×s	318.10	Studies on viscosity and conductivity of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 328.1 K
η	0.0049100	Pa×s	328.10	Studies on viscosity and conductivity of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 328.1 K
ρl	[970.60; 1020.60]	kg/m3	[288.15; 358.15]
ρl	1020.60	kg/m3	288.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	1017.10	kg/m3	293.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	1019.84	kg/m3	293.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	1016.15	kg/m3	298.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	1014.10	kg/m3	298.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	1012.45	kg/m3	303.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	1010.90	kg/m3	303.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	1008.73	kg/m3	308.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	1007.40	kg/m3	308.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	1005.00	kg/m3	313.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	1004.60	kg/m3	313.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	1001.25	kg/m3	318.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	1000.80	kg/m3	318.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	997.48	kg/m3	323.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	998.40	kg/m3	323.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	993.69	kg/m3	328.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	994.20	kg/m3	328.15	Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
ρl	989.89	kg/m3	333.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	986.06	kg/m3	338.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	982.22	kg/m3	343.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	978.37	kg/m3	348.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	974.49	kg/m3	353.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
ρl	970.60	kg/m3	358.15	Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
γ	[0.04; 0.04]	N/m	[288.10; 323.10]
γ	0.04	N/m	288.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
γ	0.04	N/m	293.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
γ	0.04	N/m	298.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
γ	0.04	N/m	303.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
γ	0.04	N/m	308.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
γ	0.04	N/m	313.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
γ	0.04	N/m	318.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
γ	0.04	N/m	323.10	Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil	[375.77; 437.20]	K	[0.51; 7.31]
Tboil	375.77	K	0.51	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	383.45	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	389.40	K	1.01	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	395.15	K	1.31	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	397.75	K	1.51	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	400.85	K	1.71	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	403.95	K	2.01	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	407.05	K	2.31	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	409.00	K	2.51	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	412.87	K	3.01	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	416.15	K	3.31	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	416.95	K	3.51	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	421.02	K	4.01	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	422.22	K	4.21	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	424.13	K	4.51	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	426.92	K	5.01	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	427.85	K	5.31	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	432.45	K	6.31	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboil	437.20	K	7.31	Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
Tboilr	354.70	K	0.08	NIST

Similar Compounds

Find more compounds similar to Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-.

Mixtures

• Carbon dioxide + Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-
• Carbon dioxide + Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro- + Glycerin
• Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro- + Water
• Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro- + Glycerin

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
• Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions
• Dew points of pure DBN and DBU and vapor-liquid equilibria of water + DBN and water + DBU systems for cellulose solvent recycling
• Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K
• Studies on surface tension of 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 323.1 K
• Studies on viscosity and conductivity of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures from 288.1 K to 328.1 K
• McGowan Method
• NIST Webbook

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