- InChI
- InChI=1S/C16H23NO3/c1-2-20-15(18)8-11-17-12-9-16(19,10-13-17)14-6-4-3-5-7-14/h3-7,19H,2,8-13H2,1H3
- InChI Key
- ZOSSQUOBDBJSIE-UHFFFAOYSA-N
- Formula
- C16H23NO3
- SMILES
-
CCOC(=O)CCN1CCC(O)(c2ccccc2)CC
1 - Molecular Weight1
- 277.36
- CAS
- 116660-52-7
- 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 | 0.7714 | Relay (1.0) Calculated Property | |
| ΔfG° | -119.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -487.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.923 | Crippen Calculated Property | |
| McVol | 224.970 | ml/mol | McGowan Calculated Property |
| Pc | 1774.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 622.25 | K | Relay (1.0) Calculated Property |
| Tc | 848.27 | K | Relay (1.0) Calculated Property |
| Tfus | 382.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.815 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Beta-carbethoxyethyl)-4-phenyl-4-piperidinol.
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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