- InChI
- InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
- InChI Key
- FEOIYPLRWRCSMS-UHFFFAOYSA-N
- Formula
- C4H7N3
- SMILES
- CCn1cncn1
- Molecular Weight1
- 97.12
- CAS
- 16778-70-4
- 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 | 0.3629 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 165.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.298 | Crippen Calculated Property | |
| McVol | 77.700 | ml/mol | McGowan Calculated Property |
| Pc | 5208.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 900.00 | NIST | |
| Tboil | 481.13 | K | Relay (1.0) Calculated Property |
| Tc | 656.79 | K | Relay (1.0) Calculated Property |
| Tfus | 271.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.304 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![1-[1,2,4]Triazol-1-ylethanone.](data:image/png;base64,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)
Find more compounds similar to 1-Ethyl-1,2,4-triazole.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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