- InChI
- InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h3-5,7H,2H2,1H3
- InChI Key
- RLLBWIDEGAIFPI-UHFFFAOYSA-N
- Formula
- C6H9N
- SMILES
- CCc1cc[nH]c1
- Molecular Weight1
- 95.14
- CAS
- 1551-16-2
- Other Names
-
- 3-ethyl-1H-pyrrole
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.3293 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 34.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.095 | Crippen Calculated Property | |
| McVol | 85.920 | ml/mol | McGowan Calculated Property |
| Pc | 4129.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [950.00; 950.00] |
|
|
| Inp | 950.00 | NIST | |
| Inp | 950.00 | NIST | |
| I | [1617.00; 1657.00] |
|
|
| I | 1617.00 | NIST | |
| I | 1657.00 | NIST | |
| Tboil | 442.70 | K | Relay (1.0) Calculated Property |
| Tc | 651.23 | K | Relay (1.0) Calculated Property |
| Tfus | 211.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 3-ethyl-.
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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