- 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 - Molecular Weight1
- 452.59
- CAS
- 915-30-0
- Other Names
-
- 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester
- 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester
- 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester
- 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester
- Diphenoxalate
- Ethyl-1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate
- Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester
- Lomotil
- R-1132
- ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8262 | Relay (1.0) Calculated Property | |
| ΔfG° | 394.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 60.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 144.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.483 | Crippen Calculated Property | |
| McVol | 370.220 | ml/mol | McGowan Calculated Property |
| Pc | 698.09 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 761.74 | K | Relay (1.0) Calculated Property |
| Tc | 1078.19 | K | Relay (1.0) Calculated Property |
| Tfus | 459.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.296 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Diphenoxylate.
Mixtures
- Methyl Alcohol + Diphenoxylate
- Acetone + Diphenoxylate
- Isopropyl Alcohol + Diphenoxylate
- Ethanol + Diphenoxylate
- Acetonitrile + Diphenoxylate
- Water + Diphenoxylate
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility and Solution Thermodynamics of Diphenoxylate in Different Pure Solvents
- McGowan Method
- NIST Webbook
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