Mixture of 1-Octanol + Theophylline

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1-Octanol

Name
1-Octanol
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key
KBPLFHHGFOOTCA-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CCCCCCCCO
Mol. Weight (g/mol)
130.23
CAS
111-87-5

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. Tfus - Solid-liquid equilibrium temperature, K (2)

Solid-liquid equilibrium temperature, K [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Mole fraction of Theophylline (2) - Liquid Solid-liquid equilibrium temperature, K - Liquid
0.0010 322.30
0.0013 327.20
0.0017 330.20
0.0025 336.70
0.0027 337.50
0.0045 343.80
0.0063 352.10
0.0069 355.30
0.0080 364.50

Solid-liquid equilibrium temperature, K [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Mole fraction of Theophylline (2) - Liquid Solid-liquid equilibrium temperature, K - Liquid
0.0010 322.30
0.0013 327.20
0.0017 330.20
0.0025 336.70
0.0027 337.50
0.0045 343.80
0.0063 352.10
0.0069 355.30
0.0080 364.50

Sources