- InChI
- InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
- InChI Key
- WURBVZBTWMNKQT-UHFFFAOYSA-N
- Formula
- C14H16ClN3O2
- SMILES
-
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n
1cncn1 - Molecular Weight1
- 293.75
- CAS
- 43121-43-3
- Other Names
-
- 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one
- 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
- 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
- 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone
- 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl) butan-2-one
- 1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-
- 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-
- 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-
- Amiral
- Azocene
- BAY 6681F
- BAY-MEB 6447
- Bayleton
- Bayleton 250 EC
- Bayleton 5
- Bayleton special
- MEB 6447
- NSC 303303
- Reach
- Tartan (fungicide)
- Tidifon
- Triadimefone
- Tridimefon
- bayletone
- chlorophenoxy)butanone
- {1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)}butanone (triadimefon)
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-3.61; -3.61] |
|
|
| log10WS | -3.61 | Aq. Sol... | |
| log10WS | -3.61 | Estimat... | |
| logPoct/wat | 3.124 | Crippen Calculated Property | |
| McVol | 214.520 | ml/mol | McGowan Calculated Property |
| Inp | [1939.00; 1999.00] |
|
|
| Inp | 1966.00 | NIST | |
| Inp | 1981.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Inp | 1999.00 | NIST | |
| Inp | 1999.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Inp | Outlier 1939.00 | NIST | |
| Inp | 1999.00 | NIST | |
| I | 2942.00 | NIST | |
| Tfus | [350.20; 355.45] | K |
|
| Tfus | 355.45 | K | Aq. Sol... |
| Tfus | 353.62 ± 0.20 | K | NIST |
| Tfus | 350.20 ± 0.50 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 22.87 | kJ/mol | 351.40 | NIST |
| ΔsubH | 111.10 ± 2.20 | kJ/mol | 320.50 | NIST |
Similar Compounds
Find more compounds similar to Triadimefon.
Mixtures
- Acetone + Triadimefon + Water
- Acetonitrile + Triadimefon
- n-Hexane + Triadimefon
- Triadimefon + Heptane
- Triadimefon + Cyclohexane
- Toluene + Triadimefon
- p-Xylene + Triadimefon
Sources
- Crippen Method
- Solubilities of Triadimefon in Acetone + Water from (278.15 to 333.15) K
- Solubility of Triadimefon in Organic Solvents at Temperatures between (288.15 and 333.15) K
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- 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.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.