- InChI
- InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
- InChI Key
- PXMNMQRDXWABCY-UHFFFAOYSA-N
- Formula
- C16H22ClN3O
- SMILES
-
CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn
1cncn1 - Molecular Weight1
- 307.82
- CAS
- 107534-96-3
- Other Names
-
- «alpha»-(2-(4-Chlorophenyl)ethyl)-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
- 1H-1,2,4-Triazole-1-ethanol, «alpha»-(2-(4-chlorophenyl)ethyl)-«alpha»-(1,1-dimethylethyl)-, (.+/-.)-
- BAY-HWG 1608
- (.+/-.)-«alpha»-[2-(4-Chlorophenyl)ethyl]-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
- (RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
- Corail
- Elite
- Ethyltrianol
- Fenetrazole
- Folicur
- Horizon
- Horizont
- HWG 1608
- Lynx
- Raxil
- Terbuconazole
- Terbutrazole
- Tebuconazol
- (.+/-.)-Tebuconazole
- Etiltrianol
- Preventol A 8
- 1H-1,2,4-Triazole-1-ethanol, «alpha»-[2-(4-chlorophenyl)ethyl]-«alpha»-(1,1-dimethylethyl)-
- *
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7777 | Relay (1.0) Calculated Property | |
| ΔfG° | 278.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -43.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.342 | Crippen Calculated Property | |
| McVol | 241.130 | ml/mol | McGowan Calculated Property |
| Pc | 2225.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2397.00; 2421.00] |
|
|
| Inp | 2421.00 | NIST | |
| Inp | 2421.00 | NIST | |
| Inp | 2397.00 | NIST | |
| Inp | 2398.00 | NIST | |
| Inp | 2397.00 | NIST | |
| Inp | 2421.00 | NIST | |
| Tboil | 648.15 | K | Relay (1.0) Calculated Property |
| Tc | 928.50 | K | Relay (1.0) Calculated Property |
| Tfus | 384.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tebuconazole.
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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