- InChI
- InChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
- InChI Key
- LMINNBXUMGNKMM-UHFFFAOYSA-N
- Formula
- C15H13NO2S
- SMILES
- CN1c2ccccc2Sc2ccc(CC(=O)O)cc21
- Molecular Weight1
- 271.34
- 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 | 0.8081 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -164.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Aq. Solubility Prediction | |
| logPoct/wat | 3.546 | Crippen Calculated Property | |
| McVol | 197.600 | ml/mol | McGowan Calculated Property |
| Pc | 3203.07 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 694.62 | K | Relay (1.0) Calculated Property |
| Tc | 1001.25 | K | Relay (1.0) Calculated Property |
| Tfus | 453.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to metiazinic acid.
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
- Aqueous Solubility Prediction Method
- McGowan Method
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