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

Name: Butanoic acid
InChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key: FERIUCNNQQJTOY-UHFFFAOYSA-N
Formula: C4H8O2
SMILES: CCCC(=O)O
Mol. Weight (g/mol): 88.11
CAS: 107-92-6

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: 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

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

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

Mole fraction of Butanoic acid (1) [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 Butanoic acid (1) - Liquid mixture 1
0.0060	0.0000
0.0065	0.0235
0.0074	0.0635
0.0085	0.1072
0.0254	0.2110
0.0388	0.3179
0.0450	0.4644
0.1287	0.5617
0.2139	0.5652
0.3259	0.5237
0.5577	0.3827
0.6372	0.3094
0.7428	0.2051
0.8668	0.1031
0.9296	0.0541
0.9743	0.0249
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 Butanoic acid (1) - 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 Butanoic acid (1) - Liquid mixture 2
0.0909	0.0075	0.9879	0.0071
0.1635	0.0165	0.9801	0.0168
0.2909	0.0283	0.9490	0.0327
0.4410	0.0505	0.9171	0.0560
0.4851	0.0620	0.8861	0.0904

Mole fraction of Butanoic acid (1) [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 Butanoic acid (1) - Liquid mixture 1
0.0060	0.0000
0.0065	0.0235
0.0074	0.0635
0.0085	0.1072
0.0254	0.2110
0.0388	0.3179
0.0450	0.4644
0.1287	0.5617
0.2139	0.5652
0.3259	0.5237
0.5577	0.3827
0.6372	0.3094
0.7428	0.2051
0.8668	0.1031
0.9296	0.0541
0.9743	0.0249
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 Butanoic acid (1) - 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 Butanoic acid (1) - Liquid mixture 2
0.0909	0.0075	0.9879	0.0071
0.1635	0.0165	0.9801	0.0168
0.2909	0.0283	0.9490	0.0327
0.4410	0.0505	0.9171	0.0560
0.4851	0.0620	0.8861	0.0904

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 Butanoic acid (1) - Liquid	Refractive index (Na D-line) - Liquid
0.0075	0.0909	1.3936
0.0165	0.1635	1.3924
0.0283	0.2909	1.3915
0.0505	0.4410	1.3905
0.0620	0.4851	1.3904
0.9879	0.0071	1.4742
0.9801	0.0168	1.4677
0.9490	0.0327	1.461
0.9171	0.0560	1.4458
0.8861	0.0904	1.4416

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 Butanoic acid (1) - Liquid	Refractive index (Na D-line) - Liquid
0.0075	0.0909	1.3936
0.0165	0.1635	1.3924
0.0283	0.2909	1.3915
0.0505	0.4410	1.3905
0.0620	0.4851	1.3904
0.9879	0.0071	1.4742
0.9801	0.0168	1.4677
0.9490	0.0327	1.461
0.9171	0.0560	1.4458
0.8861	0.0904	1.4416

Sources

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