- InChI
- InChI=1S/C8H7NO/c1-2-6-9(5-1)8-4-3-7-10-8/h1-7H
- InChI Key
- PIEDMCUUVINKHS-UHFFFAOYSA-N
- Formula
- C8H7NO
- SMILES
- c1coc(-n2cccc2)c1
- Molecular Weight1
- 133.15
- 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 | 0.3814 | Relay (... Calculated Property | |
| ΔfG° | 160.02 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 66.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 62.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | Relay (... Calculated Property |
| log10WS | -1.99 | Relay (... Calculated Property | |
| logPoct/wat | 2.070 | Crippen Calculated Property | |
| McVol | 100.510 | ml/mol | McGowan Calculated Property |
| Pc | 4907.67 | kPa | Relay (... Calculated Property ⚠️ |
| I | [1823.00; 1823.00] |
|
|
| I | 1823.00 | NIST | |
| I | 1823.00 | NIST | |
| Tboil | 490.85 | K | Relay (... Calculated Property |
| Tc | 731.92 | K | Relay (... Calculated Property |
| Tfus | 274.83 | K | Relay (... Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-furyl)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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