Mixture of Pentane, 2,2,4-trimethyl- + o-Xylene + Methyl Alcohol

Name: Pentane, 2,2,4-trimethyl-
InChI: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChI Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N
Formula: C8H18
SMILES: CC(C)CC(C)(C)C
Mol. Weight (g/mol): 114.23
CAS: 540-84-1

Name: o-Xylene
InChI: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChI Key: CTQNGGLPUBDAKN-UHFFFAOYSA-N
Formula: C8H10
SMILES: Cc1ccccc1C
Mol. Weight (g/mol): 106.17
CAS: 95-47-6

Name: Methyl Alcohol
InChI: InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key: OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula: CH4O
SMILES: CO
Mol. Weight (g/mol): 32.04
CAS: 67-56-1

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Datasets

Mole fraction (4)

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 1	Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 1
0.1142	0.0000	0.0000	0.7717
0.1293	0.0118	0.0360	0.7374
0.1544	0.0271	0.0641	0.6688
0.1658	0.0343	0.0745	0.6327
0.1964	0.0471	0.0714	0.6215
0.2323	0.0591	0.0891	0.5152
0.2178	0.0561	0.0918	0.4938
0.2521	0.0660	0.0901	0.4791

Mole fraction [ref]

Operational conditions:

Temperature, K = 283.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 1	Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 1
0.0891	0.0000	0.0000	0.8407
0.0845	0.0117	0.0480	0.7962
0.0931	0.0368	0.1226	0.6917
0.1138	0.0492	0.1502	0.6294
0.1335	0.0616	0.1657	0.5752

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 1	Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 1
0.1142	0.0000	0.0000	0.7717
0.1293	0.0118	0.0360	0.7374
0.1544	0.0271	0.0641	0.6688
0.1658	0.0343	0.0745	0.6327
0.1964	0.0471	0.0714	0.6215
0.2323	0.0591	0.0891	0.5152
0.2178	0.0561	0.0918	0.4938
0.2521	0.0660	0.0901	0.4791

Mole fraction [ref]

Operational conditions:

Temperature, K = 283.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 2	Mole fraction of o-Xylene (2) - Liquid mixture 1	Mole fraction of Pentane, 2,2,4-trimethyl- (1) - Liquid mixture 1
0.0891	0.0000	0.0000	0.8407
0.0845	0.0117	0.0480	0.7962
0.0931	0.0368	0.1226	0.6917
0.1138	0.0492	0.1502	0.6294
0.1335	0.0616	0.1657	0.5752

Sources

Towards automated characterisation of liquid-liquid equilibria