Mixture of Thioctic acid + Heptane + Ethyl Acetate

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Thioctic acid

Name
Thioctic acid
InChI
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChI Key
AGBQKNBQESQNJD-UHFFFAOYSA-N
Formula
C8H14O2S2
SMILES
O=C(O)CCCCC1CCSS1
Mol. Weight (g/mol)
206.33
CAS
1077-28-7

Heptane

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

Ethyl Acetate

Name
Ethyl Acetate
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI Key
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCOC(C)=O
Mol. Weight (g/mol)
88.11
CAS
141-78-6
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Datasets

  1. Mole fraction (2)

Mole fraction of Thioctic acid (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Solvent: Volume fraction of Heptane (2) - Liquid Temperature, K - Liquid Mole fraction of Thioctic acid (1) - Liquid
0.9091 288.15 0.0029
0.9091 293.15 0.0044
0.9091 298.15 0.0063
0.9091 303.15 0.0091
0.9091 308.15 0.0117
0.9091 313.15 0.0197
0.9091 318.15 0.0274
0.9375 288.15 0.0018
0.9375 293.15 0.0025
0.9375 298.15 0.0040
0.9375 303.15 0.0062
0.9375 308.15 0.0087
0.9375 313.15 0.0146
0.9375 318.15 0.0187
0.9524 288.15 0.0014
0.9524 293.15 0.0020
0.9524 298.15 0.0034
0.9524 303.15 0.0050
0.9524 308.15 0.0063
0.9524 313.15 0.0103
0.9524 318.15 0.0153

Mole fraction of Thioctic acid (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Solvent: Volume fraction of Heptane (2) - Liquid Temperature, K - Liquid Mole fraction of Thioctic acid (1) - Liquid
0.9091 288.15 0.0029
0.9091 293.15 0.0044
0.9091 298.15 0.0063
0.9091 303.15 0.0091
0.9091 308.15 0.0117
0.9091 313.15 0.0197
0.9091 318.15 0.0274
0.9375 288.15 0.0018
0.9375 293.15 0.0025
0.9375 298.15 0.0040
0.9375 303.15 0.0062
0.9375 308.15 0.0087
0.9375 313.15 0.0146
0.9375 318.15 0.0187
0.9524 288.15 0.0014
0.9524 293.15 0.0020
0.9524 298.15 0.0034
0.9524 303.15 0.0050
0.9524 308.15 0.0063
0.9524 313.15 0.0103
0.9524 318.15 0.0153

Sources