- InChI
- InChI=1S/C16H19N3/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16/h1-9H,10-14H2
- InChI Key
- PPZUTXLPTNQOFF-UHFFFAOYSA-N
- Formula
- C16H19N3
- SMILES
- c1ccc(CN2CCN(c3ccccn3)CC2)cc1
- Molecular Weight1
- 253.34
- CAS
- 63980-42-7
- 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 | 0.5442 | Relay (1.0) Calculated Property | |
| ΔfG° | 477.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 322.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.404 | Crippen Calculated Property | |
| McVol | 207.860 | ml/mol | McGowan Calculated Property |
| Pc | 2527.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 653.91 | K | Relay (1.0) Calculated Property |
| Tc | 900.69 | K | Relay (1.0) Calculated Property |
| Tfus | 325.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Piperazine,1-benzyl-4-(2-pyridyl)-.
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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