- InChI
- InChI=1S/C14H18N2O/c15-9-4-10-16-11-7-14(17,8-12-16)13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-8,10-12H2
- InChI Key
- YFHOEXZVEVBIHH-UHFFFAOYSA-N
- Formula
- C14H18N2O
- SMILES
- N#CCCN1CCC(O)(c2ccccc2)CC1
- Molecular Weight1
- 230.31
- CAS
- 5193-57-7
- 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 | 0.7107 | Relay (1.0) Calculated Property | |
| ΔfG° | 225.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 29.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.884 | Crippen Calculated Property | |
| McVol | 190.730 | ml/mol | McGowan Calculated Property |
| Pc | 2259.82 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 627.04 | K | Relay (1.0) Calculated Property |
| Tc | 888.42 | K | Relay (1.0) Calculated Property |
| Tfus | 389.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Beta-cyanoethyl)-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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