- InChI
- InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
- InChI Key
- STMIIPIFODONDC-UHFFFAOYSA-N
- Formula
- C14H17Cl2N3O
- SMILES
-
CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1
Cl - Molecular Weight1
- 314.22
- Other Names
-
- (Rs)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
- (±)-a-butyl-a-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
- .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
- 1H-1,2,4-Triazole-1-ethanol, «alpha»-butyl-«alpha»-(2,4-dichlorophenyl)-
- 1H-1,2,4-triazole-1-ethanol, .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-
- 1H-1,2,4-triazole-1-ethanol, .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-, (.+-.)-
- PP 523
- anvil
- clortriafol
- contaf
- contaf 5EC
- «alpha»-Butyl-«alpha»-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (.+/-.)-
- «alpha»-butyl-«alpha»-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (±)-hexaconazole
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρs : Solid Density (kg/m3).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.663 | Crippen Calculated Property | |
| McVol | 225.190 | ml/mol | McGowan Calculated Property |
| Inp | [2150.00; 2172.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2161.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Tfus | 342.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 160.10 | kJ/mol | 338.00 | NIST |
| ρs | 1331.00 | kg/m3 | 296.00 | Thermodynamic properties of diniconazole and hexaconazole |
Similar Compounds
Find more compounds similar to Hexaconazole.
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
- Thermodynamic properties of diniconazole and hexaconazole
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.