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
• 1,8-diazabicyclo [5.4.0]undec-7-ene
• 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

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• η : Dynamic viscosity (Pa×s).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ρ_l : Liquid Density (kg/m³).
• γ : Surface Tension (N/m).
• T_boil(P) : Boiling point at given pressure (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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
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(P)	[375.77; 437.20]	K	[0.51; 7.31]
Tboil(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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(P)	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

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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