Mixture of Heptane + Pentanoic acid + Thiophene, tetrahydro-, 1,1-dioxide

Name: Heptane
InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N
Formula: C7H16
SMILES: CCCCCCC
Mol. Weight (g/mol): 100.20
CAS: 142-82-5

Name: Pentanoic acid
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula: C5H10O2
SMILES: CCCCC(=O)O
Mol. Weight (g/mol): 102.13
CAS: 109-52-4

Name: Thiophene, tetrahydro-, 1,1-dioxide
InChI: InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
InChI Key: HXJUTPCZVOIRIF-UHFFFAOYSA-N
Formula: C4H8O2S
SMILES: O=S1(=O)CCCC1
Mol. Weight (g/mol): 120.17
CAS: 126-33-0

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Datasets

Mole fraction (4)
n₀ - Refractive index (Na D-line) (2)

Mole fraction of Pentanoic acid (2) [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 1)
Pressure, kPa = 100 (Liquid mixture 1)

Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.0060	0.0000
0.0089	0.2340
0.0250	0.2961
0.0345	0.3366
0.0432	0.3467
0.0572	0.4850
0.1529	0.5659
0.2494	0.5394
0.3582	0.4983
0.5736	0.3619
0.6726	0.2716
0.7901	0.1810
0.8806	0.0919
0.9315	0.0405
0.9521	0.0258
0.9850	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 2)
Pressure, kPa = 100 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Pentanoic acid (2) - Liquid mixture 1	Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid mixture 1	Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid mixture 2	Mole fraction of Pentanoic acid (2) - Liquid mixture 2
0.0750	0.0052	0.9631	0.0123
0.1763	0.0081	0.9579	0.0260
0.2992	0.0145	0.9476	0.0328
0.3592	0.0324	0.9257	0.0438
0.4229	0.0421	0.9149	0.0654

Mole fraction of Pentanoic acid (2) [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 1)
Pressure, kPa = 100 (Liquid mixture 1)

Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.0060	0.0000
0.0089	0.2340
0.0250	0.2961
0.0345	0.3366
0.0432	0.3467
0.0572	0.4850
0.1529	0.5659
0.2494	0.5394
0.3582	0.4983
0.5736	0.3619
0.6726	0.2716
0.7901	0.1810
0.8806	0.0919
0.9315	0.0405
0.9521	0.0258
0.9850	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 2)
Pressure, kPa = 100 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Pentanoic acid (2) - Liquid mixture 1	Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid mixture 1	Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid mixture 2	Mole fraction of Pentanoic acid (2) - Liquid mixture 2
0.0750	0.0052	0.9631	0.0123
0.1763	0.0081	0.9579	0.0260
0.2992	0.0145	0.9476	0.0328
0.3592	0.0324	0.9257	0.0438
0.4229	0.0421	0.9149	0.0654

Refractive index (Na D-line) [ref]

Operational conditions:

Pressure, kPa = 100 (Liquid)
Temperature, K = 303.15 (Liquid)

Fixed		Measured
Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid	Mole fraction of Pentanoic acid (2) - Liquid	Refractive index (Na D-line) - Liquid
0.0052	0.0750	1.3962
0.0081	0.1763	1.3961
0.0145	0.2992	1.3948
0.0324	0.3592	1.3945
0.0421	0.4229	1.3944
0.9631	0.0123	1.4758
0.9579	0.0260	1.4705
0.9476	0.0328	1.4654
0.9257	0.0438	1.4619
0.9149	0.0654	1.4551

Refractive index (Na D-line) [ref]

Operational conditions:

Pressure, kPa = 100 (Liquid)
Temperature, K = 303.15 (Liquid)

Fixed		Measured
Mole fraction of Thiophene, tetrahydro-, 1,1-dioxide (3) - Liquid	Mole fraction of Pentanoic acid (2) - Liquid	Refractive index (Na D-line) - Liquid
0.0052	0.0750	1.3962
0.0081	0.1763	1.3961
0.0145	0.2992	1.3948
0.0324	0.3592	1.3945
0.0421	0.4229	1.3944
0.9631	0.0123	1.4758
0.9579	0.0260	1.4705
0.9476	0.0328	1.4654
0.9257	0.0438	1.4619
0.9149	0.0654	1.4551

Sources

(Liquid + liquid) equilibria measurements for ternary systems (sulfolane + a carboxylic acid + n-heptane) at T = 303.15 K and at 0.1 MPa