- InChI
- InChI=1S/C11H14N2O2/c14-13(15)11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2
- InChI Key
- SGPLAXFUDTWHRS-UHFFFAOYSA-N
- Formula
- C11H14N2O2
- SMILES
- O=[N+]([O-])c1ccc(N2CCCCC2)cc1
- Molecular Weight1
- 206.24
- CAS
- 6574-15-8
- Other Names
-
- 1-(4-nitrophenyl)piperidine
- 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 | 0.5957 | Relay (1.0) Calculated Property | |
| ΔfG° | 304.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 25.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 158.630 | ml/mol | McGowan Calculated Property |
| Pc | 2940.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 597.96 | K | Relay (1.0) Calculated Property |
| Tc | 860.87 | K | Relay (1.0) Calculated Property |
| Tfus | 375.65 ± 2.00 | K | NIST |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Piperidine, 1-(4-nitrophenyl)-.
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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