- InChI
- InChI=1S/C10H9NO2/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1-6,8H,7H2
- InChI Key
- PYBJPTHZYBWJON-UHFFFAOYSA-N
- Formula
- C10H9NO2
- SMILES
- O=Cc1cccn1Cc1ccco1
- Molecular Weight1
- 175.18
- Other Names
-
- 1-furfuryl-2-formylpyrrole
- 1-(2-furanylmethyl)-2-formyl- 1H-pyrrole
- 1-(2-furfuryl)pyrrole-2-carboxaldehyde
- Pyrrole-2-carboxaldehyde, 1-(2-furfuryl)
- 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 | 0.5238 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -30.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.942 | Crippen Calculated Property | |
| McVol | 130.260 | ml/mol | McGowan Calculated Property |
| Pc | 4070.49 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1374.00; 1384.00] |
|
|
| Inp | 1374.00 | NIST | |
| Inp | 1374.00 | NIST | |
| Inp | 1384.00 | NIST | |
| I | [2254.00; 2266.00] |
|
|
| I | 2254.00 | NIST | |
| I | 2266.00 | NIST | |
| I | 2266.00 | NIST | |
| I | 2254.00 | NIST | |
| Tboil | 561.55 | K | Relay (1.0) Calculated Property |
| Tc | 820.99 | K | Relay (1.0) Calculated Property |
| Tfus | 295.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Fur-2-ylmethyl)-2-formyl-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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