Mixture of 2,2',4,4',6,6'-Hexanitrobiphenyl + Benzene

Name: 2,2',4,4',6,6'-Hexanitrobiphenyl
InChI: InChI=1S/C12H4N6O12/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
InChI Key: PJTZYMXZEQWUHG-UHFFFAOYSA-N
Formula: C12H4N6O12
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
Mol. Weight (g/mol): 424.19

Name: Benzene
InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N
Formula: C6H6
SMILES: c1ccccc1
Mol. Weight (g/mol): 78.11
CAS: 71-43-2

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Datasets

Mole fraction (2)

Mole fraction of 2,2',4,4',6,6'-Hexanitrobiphenyl (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid	Mole fraction of 2,2',4,4',6,6'-Hexanitrobiphenyl (1) - Liquid
313.15	0.0010
318.15	0.0011
323.15	0.0013
328.15	0.0014
333.15	0.0017
338.15	0.0020
343.15	0.0023
348.15	0.0025
353.15	0.0029

Mole fraction of 2,2',4,4',6,6'-Hexanitrobiphenyl (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid	Mole fraction of 2,2',4,4',6,6'-Hexanitrobiphenyl (1) - Liquid
313.15	0.0010
318.15	0.0011
323.15	0.0013
328.15	0.0014
333.15	0.0017
338.15	0.0020
343.15	0.0023
348.15	0.0025
353.15	0.0029

Sources

Determination and correlation of solubility of 2,2',4,4',6,6 '-hexanitro-1,1'-biphenyl and 2,2',2" ,4,4',4" ,6,6',6" -Nonanitro-1,1 ':3',1"-terphenyl in six pure solvents

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