- InChI
- InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)
- InChI Key
- XYHKNCXZYYTLRG-UHFFFAOYSA-N
- Formula
- C4H4N2O
- SMILES
- O=Cc1ncc[nH]1
- Molecular Weight1
- 96.09
- CAS
- 10111-08-7
- Other Names
-
- Imidazole-2-carboxaldehyde
- 2-Formylimidazole
- 2-Imidazolecarboxaldehyde
- 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.
- 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 | 0.4149 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 19.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.260 | Crippen Calculated Property | |
| McVol | 69.290 | ml/mol | McGowan Calculated Property |
| Pc | 6441.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1108.00 | NIST | |
| Tboil | 533.47 | K | Relay (1.0) Calculated Property |
| Tc | 766.18 | K | Relay (1.0) Calculated Property |
| Tfus | 390.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.257 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Imidazole-2-carboxaldehyde.
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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