Mixture of Acetonitrile + Water + Potassium phosphate, tribasic

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: 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

Name: Potassium phosphate, tribasic
InChI: InChI=1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3
InChI Key: LWIHDJKSTIGBAC-UHFFFAOYSA-K
Formula: K3O4P
SMILES: O=P([O][K])([O][K])[O][K]
Mol. Weight (g/mol): 212.27

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Datasets

Mass fraction (2)

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 100 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Acetonitrile (1) - Liquid mixture 1	Mass fraction of Potassium phosphate, tribasic (3) - Liquid mixture 1	Mass fraction of Acetonitrile (1) - Liquid mixture 2	Mass fraction of Potassium phosphate, tribasic (3) - Liquid mixture 2
0.7437	0.0016	0.0815	0.2977
0.6201	0.0067	0.1266	0.1979

Mass fraction of Acetonitrile (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 100 (Liquid mixture 1)

Mass fraction of Potassium phosphate, tribasic (3) - Liquid mixture 1	Mass fraction of Acetonitrile (1) - Liquid mixture 1
0.3003	0.0806
0.2900	0.0840
0.2825	0.0867
0.2560	0.0969
0.1878	0.1332
0.1460	0.1666
0.1132	0.2036
0.0923	0.2348
0.0758	0.2660
0.0616	0.2996
0.0511	0.3301
0.0440	0.3546
0.0377	0.3796
0.0328	0.4016
0.0284	0.4244
0.0251	0.4440
0.0187	0.4877
0.0148	0.5210
0.0110	0.5608
0.0099	0.5748
0.0048	0.6568
0.0030	0.6982
0.0020	0.7296
0.0012	0.7607

Sources

Acetonitrile and Na+ or K+ Salts as Constituents of the Aqueous Two-Phase System: Equilibrium Data and Capsaicin Purification

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