- InChI
- InChI=1S/C12H14N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
- InChI Key
- MEBVSLLKZSAIGK-UHFFFAOYSA-N
- Formula
- C12H14N2
- SMILES
- N#Cc1ccccc1N1CCCCC1
- Molecular Weight1
- 186.25
- CAS
- 72752-52-4
- 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 | 0.5013 | Relay (1.0) Calculated Property | |
| ΔfG° | 375.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 167.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.549 | Crippen Calculated Property | |
| McVol | 156.680 | ml/mol | McGowan Calculated Property |
| Pc | 2762.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 597.18 | K | Relay (1.0) Calculated Property |
| Tc | 846.74 | K | Relay (1.0) Calculated Property |
| Tfus | 302.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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)
Find more compounds similar to 2-Piperidinobenzonitrile.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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