Mixture of Acetone + Diphenoxylate

Excel

Acetone

Name
Acetone
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI Key
CSCPPACGZOOCGX-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CC(C)=O
Mol. Weight (g/mol)
58.08
CAS
67-64-1

Diphenoxylate

Name
Diphenoxylate
InChI
InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
InChI Key
HYPPXZBJBPSRLK-UHFFFAOYSA-N
Formula
C30H32N2O2
SMILES
CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
Mol. Weight (g/mol)
452.59
CAS
915-30-0
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Datasets

  1. Mole fraction (2)

Mole fraction of Diphenoxylate (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Diphenoxylate (2) - Liquid
293.15 0.0043
298.15 0.0048
303.15 0.0056
308.15 0.0061
313.15 0.0066
318.15 0.0078

Mole fraction of Diphenoxylate (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Diphenoxylate (2) - Liquid
293.15 0.0043
298.15 0.0048
303.15 0.0056
308.15 0.0061
313.15 0.0066
318.15 0.0078

Sources