Mixture of Water + Diphenoxylate

Excel

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5

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 8.6000e-06
298.15 0.0000
303.15 0.0000
308.15 0.0000
313.15 0.0000
318.15 0.0000

Mole fraction of Diphenoxylate (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Diphenoxylate (2) - Liquid
293.15 8.6000e-06
298.15 0.0000
303.15 0.0000
308.15 0.0000
313.15 0.0000
318.15 0.0000

Sources