- InChI
- InChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2
- InChI Key
- IYOLJLGYJMJLSU-UHFFFAOYSA-N
- Formula
- C7H8N2
- SMILES
- N#CCCn1cccc1
- Molecular Weight1
- 120.15
- CAS
- 43036-06-2
- Other Names
-
- 1H-Pyrrole-1-propanenitrile
- Pyrrole-1-propionitrile
- 1-(2-Cyanoethyl)pyrrole
- 3-Pyrrolidinopropionitrile
- 3-(pyrrol-1-yl)propiononitrile
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4839 | Relay (1.0) Calculated Property | |
| ΔfG° | 271.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 217.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 101.390 | ml/mol | McGowan Calculated Property |
| Pc | 3485.38 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 508.36 | K | Relay (1.0) Calculated Property |
| Tc | 747.89 | K | Relay (1.0) Calculated Property |
| Tfus | 258.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.379 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.70 | K | 1.30 | NIST |
Similar Compounds
![1-[1(1H)-pyrrolyl]-2-propanone.](data:image/png;base64,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)
Find more compounds similar to N-(2-Cyanoethyl)-pyrrole.
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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