- InChI
- InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
- InChI Key
- RZWPJFMNFATBEG-UHFFFAOYSA-N
- Formula
- C21H25NO3
- SMILES
-
O=C(OCCN1CCCCC1)C(O)(c1ccccc1)
c1ccccc1 - Molecular Weight1
- 339.43
- CAS
- 4546-39-8
- Other Names
-
- Benzilic acid, 2-piperidinoethyl ester
- Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-, 2-(1-piperidinyl)ethyl ester
- 1-Piperidineethanol benzilate
- 2-(1-Piperidino)ethyl benzilate
- «beta»-Piperidylethyl benzilate
- Pipethanate
- «alpha»-Hydroxy-«alpha»-phenylbenzeneacetic acid 2-(1-piperidinyl)ethyl 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 | 0.8966 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -342.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.952 | Crippen Calculated Property | |
| McVol | 271.660 | ml/mol | McGowan Calculated Property |
| Pc | 1442.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2464.00; 2475.00] |
|
|
| Inp | 2464.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Inp | 2464.00 | NIST | |
| Tboil | 670.27 | K | Relay (1.0) Calculated Property |
| Tc | 960.85 | K | Relay (1.0) Calculated Property |
| Tfus | 357.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Piperilate.
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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