- InChI
- InChI=1S/C6H7NO/c1-7-3-2-6(4-7)5-8/h2-5H,1H3
- InChI Key
- OXADKJPOZQYWIG-UHFFFAOYSA-N
- Formula
- C6H7NO
- SMILES
- Cn1ccc(C=O)c1
- Molecular Weight1
- 109.13
- 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).
- 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 | 0.4256 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -48.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.838 | Crippen Calculated Property | |
| McVol | 87.490 | ml/mol | McGowan Calculated Property |
| Pc | 4893.42 | kPa | Relay (1.0-beta) Calculated Property |
| I | [2012.00; 2012.00] |
|
|
| I | 2012.00 | NIST | |
| I | 2012.00 | NIST | |
| Tboil | 481.61 | K | Relay (1.0) Calculated Property |
| Tc | 728.20 | K | Relay (1.0) Calculated Property |
| Tfus | 296.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.327 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Formyl-1-methylpyrrole.
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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