- InChI
- InChI=1S/C4H8N4/c1-2-8-3-6-4(5)7-8/h3H,2H2,1H3,(H2,5,7)
- InChI Key
- IBUMUBQOWFBTFU-UHFFFAOYSA-N
- Formula
- C4H8N4
- SMILES
- CCn1cnc(N)n1
- Molecular Weight1
- 112.13
- CAS
- 42786-04-9
- Other Names
-
- 1H-1,2,4-Triazole-3-amine,1-ethyl-
- 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 | 0.5202 | Relay (1.0) Calculated Property | |
| ΔfG° | 326.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 123.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.120 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4661.16 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 539.65 | K | Relay (1.0) Calculated Property |
| Tc | 729.63 | K | Relay (1.0) Calculated Property |
| Tfus | 369.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-1,2,4-Triazol-3-amine, 1-ethyl-.
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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