- InChI
- InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
- InChI Key
- LZTSCEYDCZBRCJ-UHFFFAOYSA-N
- Formula
- C2H3N3O
- SMILES
- O=c1[nH]cn[nH]1
- Molecular Weight1
- 85.06
- CAS
- 930-33-6
- Other Names
-
- s-Triazol-3-ol
- 1,2-dihydro-3H-1,2,4-triazol-3-one
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.4483 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1073.34 ± 0.59 | kJ/mol | NIST |
| ΔfG° | 98.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -5.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -142.40 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 87.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | NIST |
| log10WS | 0.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.866 | Crippen Calculated Property | |
| McVol | 55.390 | ml/mol | McGowan Calculated Property |
| Pc | 7162.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.06 | K | Relay (1.0) Calculated Property |
| Tc | 777.60 | K | Relay (1.0) Calculated Property |
| Tfus | 509.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.200 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 68.90 | J/mol×K | 320.00 | NIST |
Similar Compounds
Find more compounds similar to 3H-1,2,4-Triazol-3-one, 1,2-dihydro-.
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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