- InChI
- InChI=1S/C18H25NO2/c1-4-9-16-14-19(3)13-12-18(16,21-17(20)5-2)15-10-7-6-8-11-15/h4,6-8,10-11,16H,1,5,9,12-14H2,2-3H3
- InChI Key
- KGYFOSCXVAXULR-UHFFFAOYSA-N
- Formula
- C18H25NO2
- SMILES
-
C=CCC1CN(C)CCC1(OC(=O)CC)c1ccc
cc1 - Molecular Weight1
- 287.40
- CAS
- 25384-17-2
- Other Names
-
- 4-Piperidinol, 1-methyl-4-phenyl-3-(2-propenyl)-, propanoate (ester)
- 4-Piperidinol, 3-allyl-1-methyl-4-phenyl-, propionate (ester)
- Alperidine
- NIH 7440
- Ro 2-7113
- 3-Allyl-1-methyl-4-phenyl-4-propionyloxypiperidine
- 1-Methyl-4-phenyl-3-(2-propenyl)-4-piperidinol propanoate
- Propionic acid, 3-allyl-1-methyl-4-phenyl-4-piperidyl ester
- «alpha»-3-Allyl-1-methyl-4-phenyl-4-propionoxypiperidine
- 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 | 0.5522 | Relay (1.0) Calculated Property | |
| ΔfG° | 61.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -277.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.363 | Crippen Calculated Property | |
| McVol | 242.980 | ml/mol | McGowan Calculated Property |
| Pc | 1619.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1929.00 | NIST | |
| Tboil | 617.28 | K | Relay (1.0) Calculated Property |
| Tc | 827.13 | K | Relay (1.0) Calculated Property |
| Tfus | 329.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.829 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Allylprodine.
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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