- InChI
- InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
- InChI Key
- BAZVSMNPJJMILC-UHFFFAOYSA-N
- Formula
- C14H18ClN3O2
- SMILES
-
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1
cncn1 - Molecular Weight1
- 295.76
- CAS
- 55219-65-3
- Other Names
-
- Baytan
- Bayfidan
- Ethanol, 2-(4-chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)-
- 1H-1,2,4-Triazole-1-ethanol, «beta»-(4-chlorophenoxy)-«alpha»-(1,1-dimethylethyl)-
- BAY KWG 0519
- 2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol
- «beta»-(4-Chlorophenoxy)-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
- Summit
- Spinnaker
- Bayfidan EW
- Baytan 15
- Baytan TF 3479B
- KWG 0519
- UK 199
- Triadimenol, isomer 2
- Triadimenol (2)
- Triadimenol, isomer 1
- Triadimenol (1)
- «alpha»-tert-butyl-«beta»-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol
- ΔfusH : Enthalpy of fusion 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.
- 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 | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 2.916 | Crippen Calculated Property | |
| McVol | 218.820 | ml/mol | McGowan Calculated Property |
| Inp | [2023.00; 2104.00] |
|
|
| Inp | 2050.00 | NIST | |
| Inp | 2069.00 | NIST | |
| Inp | 2076.00 | NIST | |
| Inp | 2084.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Inp | 2095.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Inp | 2104.00 | NIST | |
| Inp | 2050.00 | NIST | |
| Tfus | 380.99 ± 0.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 24.47 | kJ/mol | 377.80 | NIST |
Similar Compounds
Find more compounds similar to Triadimenol.
Sources
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