- InChI
- InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
- InChI Key
- QGOUKZPSCTVYLX-UHFFFAOYSA-N
- Formula
- C2H2ClN3
- SMILES
- Clc1nc[nH]n1
- Molecular Weight1
- 103.51
- CAS
- 6818-99-1
- Other Names
-
- s-Triazole, 3-chloro-
- 3-Chloro-s-triazole
- 3-Chloro-1H-1,2,4-triazole
- 1H-1,2,4-Triazole, 5-chloro-
- 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 | 0.3207 | Relay (... Calculated Property | |
| ΔfG° | 245.95 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 124.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.32 | kJ/mol | Relay (... Calculated Property |
| IE | 10.10 | eV | NIST |
| log10WS | -0.13 | Relay (... Calculated Property | |
| logPoct/wat | -0.024 | Crippen Calculated Property | |
| McVol | 61.760 | ml/mol | McGowan Calculated Property |
| Pc | 6599.57 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 525.02 | K | Relay (... Calculated Property |
| Tc | 729.01 | K | Relay (... Calculated Property |
| Tfus | 404.96 | K | Relay (... Calculated Property |
| Vc | 0.230 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1H-1,2,4-Triazole, 3-chloro-.
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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