- InChI
- InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
- InChI Key
- ZSKGQVFRTSEPJT-UHFFFAOYSA-N
- Formula
- C5H5NO
- SMILES
- O=Cc1ccc[nH]1
- Molecular Weight1
- 95.10
- CAS
- 1003-29-8
- Other Names
-
- Pyrrole-2-carboxaldehyde
- Pyrrole-2-aldehyde
- 2-Formylpyrrole
- 2-Pyrrolylcarboxaldehyde
- «alpha»-Pyrrolaldehyde
- 2-Pyrrolecarbaldehyde
- 2-Pyrrolecarboxaldehyde
- 1H-Pyrrole-2-carboxyaldehyde
- 2-Carboxaldehyde-1H-pyrrole
- 2-Pyrrolaldehyde
- 2-Pyrrolcarbaldehyde
- NSC 112885
- NSC 66394
- 1-Pyrrole-2-carboxaldehyde
- 1( H)-pyrrole carboxaldehyde
- Pyrrol-2-carboxaldehyde
- pyrrole-2-carbaldehyde
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2575.70 ± 2.50 | kJ/mol | NIST |
| ΔfH°solid | -106.40 ± 2.50 | kJ/mol | NIST |
| IE | 8.93 ± 0.05 | eV | NIST |
| log10WS | -0.93 | Crippen Calculated Property | |
| logPoct/wat | 0.345 | Crippen Calculated Property | |
| McVol | 73.400 | ml/mol | McGowan Calculated Property |
| Inp | [971.00; 1047.00] |
|
|
| Inp | 1009.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | Outlier 971.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1009.00 | NIST | |
| I | [1976.00; 2067.00] |
|
|
| I | 2028.00 | NIST | |
| I | 2048.00 | NIST | |
| I | 2032.00 | NIST | |
| I | 2032.00 | NIST | |
| I | 2030.00 | NIST | |
| I | 2030.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 2067.00 | NIST | |
| I | 2059.00 | NIST | |
| I | 2010.00 | NIST | |
| I | 2035.00 | NIST | |
| I | 2023.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 2036.00 | NIST | |
| I | 2067.00 | NIST | |
| I | 2009.00 | NIST | |
| I | 2006.00 | NIST | |
| I | Outlier 1978.00 | NIST | |
| I | 2032.00 | NIST | |
| I | 2038.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 1990.00 | NIST | |
| I | 2013.00 | NIST | |
| I | 2019.00 | NIST | |
| I | 1997.00 | NIST | |
| I | 2039.00 | NIST | |
| I | Outlier 1976.00 | NIST | |
| I | 2044.00 | NIST | |
| Tboil | 491.20 | K | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrrole-2-carboxaldehyde.
Sources
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