- InChI
- InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
- InChI Key
- UGYPGJCVNPPUPE-UHFFFAOYSA-N
- Formula
- C20H23NO3
- SMILES
-
CN1CCC(OC(=O)C(O)(c2ccccc2)c2c
cccc2)CC1 - Molecular Weight1
- 325.40
- CAS
- 3608-67-1
- Other Names
-
- 4-NMPB
- 1-Methyl-4-piperidyl benzilate
- «alpha»-Hydroxy-diphenylacetic acid, 1-methyl -4-piperidinyl ester
- 1-Methyl-4-piperidyl benzylate
- Enpiperate
- NSC 172167
- 1-methyl-4-piperidyl diphenylglycolate
- 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 | 0.8279 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -324.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.560 | Crippen Calculated Property | |
| McVol | 257.570 | ml/mol | McGowan Calculated Property |
| Pc | 1531.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2431.00 | NIST | |
| Tboil | 653.58 | K | Relay (1.0) Calculated Property |
| Tc | 956.70 | K | Relay (1.0) Calculated Property |
| Tfus | 385.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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