- InChI
- InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3
- InChI Key
- XILPCSMEKCBYFO-UHFFFAOYSA-N
- Formula
- C3H5N3
- SMILES
- Cn1cnnc1
- Molecular Weight1
- 83.09
- CAS
- 10570-40-8
- Other Names
-
- 4-Methyl-1,2,4-triazole
- 4-Methyl-4H-1,2,4-triazole
- 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).
- 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 | 0.3480 | Relay (1.0) Calculated Property | |
| ΔfG° | 289.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 246.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | NIST |
| log10WS | 1.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.185 | Crippen Calculated Property | |
| McVol | 63.610 | ml/mol | McGowan Calculated Property |
| Pc | 5998.28 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 520.47 | K | Relay (1.0) Calculated Property |
| Tc | 638.89 | K | Relay (1.0) Calculated Property |
| Tfus | 364.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.245 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1,2,4-Triazole, 4-methyl-.
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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