- InChI
- InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2
- InChI Key
- ANLQHFYDQPMDJY-UHFFFAOYSA-N
- Formula
- C8H12N2O
- SMILES
- N#CCC(=O)N1CCCCC1
- Molecular Weight1
- 152.19
- CAS
- 15029-30-8
- Other Names
-
- 1-Cyanoacetylpiperidine
- N-(2-Cyanoacetyl)piperidine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.5190 | Relay (1.0) Calculated Property | |
| ΔfG° | 128.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -120.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 103.50 ± 1.90 | kJ/mol | NIST |
| ΔvapH° | 75.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.913 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 3157.59 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 558.56 | K | Relay (1.0) Calculated Property |
| Tc | 788.53 | K | Relay (1.0) Calculated Property |
| Tfus | 395.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Piperidine, 1-(cyanoacetyl)-.
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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