- InChI
- InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16-/m0/s1
- InChI Key
- UVAZQQHAVMNMHE-BBRMVZONSA-N
- Formula
- C16H23NO2
- SMILES
- CCC(=O)OC1(c2ccccc2)CCN(C)CC1C
- Molecular Weight1
- 261.36
- CAS
- 468-59-7
- Other Names
-
- 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate (ester), trans-
- 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propionate (ester), stereoisomer
- «beta»-Prodine
- «beta»-Prodinol
- Nu-1779
- 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate, trans-
- «beta»-1,3-Dimethyl-4-phenyl-4-propionyloxypiperidine
- «beta»-1,3-Dimethyl-4-phenyl-4-piperidinol propanoate
- 1,3-Dimethyl-4-phenyl-4-piperidinyl propionate, trans-
- 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 | 0.5473 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -320.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.807 | Crippen Calculated Property | |
| McVol | 219.100 | ml/mol | McGowan Calculated Property |
| Pc | 1868.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1790.00 | NIST | |
| Tboil | 585.29 | K | Relay (1.0) Calculated Property |
| Tc | 803.93 | K | Relay (1.0) Calculated Property |
| Tfus | 344.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Betaprodine.
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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