- InChI
- InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
- InChI Key
- KTHVBAZBLKXIHZ-UHFFFAOYSA-N
- Formula
- C21H25NO2
- SMILES
-
CCN1CCCC(OC(=O)C(c2ccccc2)c2cc
ccc2)C1 - Molecular Weight1
- 323.43
- CAS
- 82-98-4
- Other Names
-
- Benzeneacetic acid, «alpha»-phenyl-, 1-ethyl-3-piperidinyl ester
- Acetic acid, diphenyl-, 1-ethyl-3-piperidyl ester
- Dactil
- Diphenylacetic acid, 1-ethyl-3-piperidyl ester
- JB 305
- N-Ethyl-3-Piperidyl diphenylacetate
- 1-Ethyl-3-piperidyl diphenylacetate
- AN 1087
- 3-Piperidinol, 1-ethyl-, diphenylacetate
- 1087 A.N.
- 3-Piperidinol, 1-ethyl-, diphenylacetate (ester)
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6373 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -237.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.846 | Crippen Calculated Property | |
| McVol | 265.790 | ml/mol | McGowan Calculated Property |
| Pc | 1494.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2316.00; 2360.00] |
|
|
| Inp | 2343.00 | NIST | |
| Inp | 2347.00 | NIST | |
| Inp | 2316.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Inp | 2343.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Inp | 2316.00 | NIST | |
| Inp | 2347.00 | NIST | |
| Tboil | 663.41 | K | Relay (1.0) Calculated Property |
| Tc | 929.71 | K | Relay (1.0) Calculated Property |
| Tfus | 351.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.939 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Piperidolate.
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
- McGowan Method
- NIST Webbook
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