Mixture of Ethanol + Theophylline

Excel

Ethanol

Name
Ethanol
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula
C2H6O
SMILES
CCO
Mol. Weight (g/mol)
46.07
CAS
64-17-5

Theophylline

Name
Theophylline
InChI
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChI Key
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Formula
C7H8N4O2
SMILES
Cn1c(=O)c2[nH]cnc2n(C)c1=O
Mol. Weight (g/mol)
180.16
CAS
58-55-9
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Datasets

  1. Mole fraction (4)
  2. Tfus - Solid-liquid equilibrium temperature, K (2)

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Theophylline (2) - Liquid
288.01 0.0008
297.95 0.0012
308.01 0.0017
318.11 0.0025
328.09 0.0032

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Theophylline (2) - Liquid
297.95 0.0011
308.01 0.0016
318.11 0.0024

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Theophylline (2) - Liquid
288.01 0.0008
297.95 0.0012
308.01 0.0017
318.11 0.0025
328.09 0.0032

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Theophylline (2) - Liquid
297.95 0.0011
308.01 0.0016
318.11 0.0024

Solid-liquid equilibrium temperature, K [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Mole fraction of Theophylline (2) - Liquid Solid-liquid equilibrium temperature, K - Liquid
0.0008 309.40
0.0013 313.00
0.0020 318.60
0.0027 321.30
0.0036 325.20
0.0050 332.80
0.0083 340.10
0.0123 345.30

Solid-liquid equilibrium temperature, K [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Mole fraction of Theophylline (2) - Liquid Solid-liquid equilibrium temperature, K - Liquid
0.0008 309.40
0.0013 313.00
0.0020 318.60
0.0027 321.30
0.0036 325.20
0.0050 332.80
0.0083 340.10
0.0123 345.30

Sources