- InChI
- InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
- InChI Key
- GTODOEDLCNTSLG-UHFFFAOYSA-N
- Formula
- C3H3N3O2
- SMILES
- O=C(O)c1cnn[nH]1
- Molecular Weight1
- 113.07
- CAS
- 16681-70-2
- Other Names
-
- 4-Carboxy-1,2,3-triazole
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.6900 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1364.00 | kJ/mol | NIST |
| ΔfG° | -9.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -119.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.979 | Crippen Calculated Property | |
| McVol | 71.050 | ml/mol | McGowan Calculated Property |
| Pc | 6591.72 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 565.57 | K | Relay (1.0) Calculated Property |
| Tc | 857.32 | K | Relay (1.0) Calculated Property |
| Tfus | 567.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.266 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Carboxy-1,2,3-triazole.
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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