- InChI
- InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
- InChI Key
- RIKMMFOAQPJVMX-UHFFFAOYSA-N
- Formula
- C4H6N2
- SMILES
- Cc1cn[nH]c1
- Molecular Weight1
- 82.10
- CAS
- 7554-65-6
- Other Names
-
- 1H-Pyrazole, 4-methyl-
- Pyrazole, 4-methyl-
- 4-Methylpyrazol
- 4-Methylpyrazole
- 4-Methyl-1H-pyrazole
- 4-Mp
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3196 | Relay (... Calculated Property | |
| PAff | 906.80 | kJ/mol | NIST |
| BasG | 873.40 | kJ/mol | NIST |
| ΔfG° | 202.68 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 132.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 57.47 | kJ/mol | Relay (... Calculated Property |
| IE | 9.38 | eV | Relay (... Calculated Property |
| log10WS | 1.13 | Relay (... Calculated Property | |
| logPoct/wat | 0.236 | Crippen Calculated Property | |
| McVol | 67.720 | ml/mol | McGowan Calculated Property |
| Pc | 5890.17 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [941.00; 964.00] |
|
|
| Inp | 964.00 | NIST | |
| Inp | 941.00 | NIST | |
| I | 1929.00 | NIST | |
| Tboil | 482.24 | K | Relay (... Calculated Property |
| Tc | 674.94 | K | Relay (... Calculated Property |
| Tfus | 353.70 | K | Relay (... Calculated Property |
| Vc | 0.244 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [372.70; 477.70] | K | [0.80; 97.30] |
|
| Tboilr | 372.70 | K | 0.80 | NIST |
| Tboilr | 477.70 | K | 97.30 | NIST |
Similar Compounds
Find more compounds similar to Fomepizole.
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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