Mixture of Acetonitrile + 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- + Water

Name: Acetonitrile
InChI: InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key: WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula: C2H3N
SMILES: CC#N
Mol. Weight (g/mol): 41.05
CAS: 75-05-8

Name: 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-
InChI: InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2
InChI Key: MWRWFPQBGSZWNV-UHFFFAOYSA-N
Formula: C5H10N6O2
SMILES: O=NN1CN2CN(C1)CN(N=O)C2
Mol. Weight (g/mol): 186.17
CAS: 101-25-7

Name: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

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Datasets

Mole fraction (2)

Mole fraction of 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed		Measured
Solvent: Volume ratio of component to other component of binary solvent of Acetonitrile (1) - Liquid	Temperature, K - Liquid	Mole fraction of 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- (2) - Liquid
9.0	288.15	6.6372e-08
9.0	293.15	9.3319e-08
9.0	298.15	1.1292e-07
9.0	303.15	1.2855e-07
9.0	308.15	1.4118e-07
2.3333	288.15	1.7214e-08
2.3333	293.15	2.1472e-08
2.3333	298.15	2.5507e-08
2.3333	303.15	2.9209e-08
2.3333	308.15	3.1836e-08

Mole fraction of 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed		Measured
Solvent: Volume ratio of component to other component of binary solvent of Acetonitrile (1) - Liquid	Temperature, K - Liquid	Mole fraction of 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- (2) - Liquid
9.0	288.15	6.6372e-08
9.0	293.15	9.3319e-08
9.0	298.15	1.1292e-07
9.0	303.15	1.2855e-07
9.0	308.15	1.4118e-07
2.3333	288.15	1.7214e-08
2.3333	293.15	2.1472e-08
2.3333	298.15	2.5507e-08
2.3333	303.15	2.9209e-08
2.3333	308.15	3.1836e-08

Sources

Solubility of 3,7-Dinitro-1,3,5,7-tetraazabicyclo [3.3.1] Nonane in Ethanenitrile, Methanol, 1,1-Dichloroethane, Dimethyl Sulfoxide, Acetone, and Mixed Solvents