- InChI
- InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
- InChI Key
- YNWVFADWVLCOPU-MDWZMJQESA-N
- Formula
- C15H18ClN3O
- SMILES
-
CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n
1cncn1 - Molecular Weight1
- 291.78
- CAS
- 83657-22-1
- Other Names
-
- 1H-1,2,4-Triazole-1-ethanol, «beta»-((4-chlorophenyl)methylene)-«alpha»-(1,1-dimethylethyl)-,(E)-(.+/-.)-
- S 3307D
- Uniconazole-P
- XE 1019
- XE 1019D
- 1H-1,2,4-Triazole-1-ethanol, «beta»-[(4-chlorophenyl)methylene]-«alpha»-(1,1-dimethylethyl)-, («beta»E)-
- 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 | 0.7122 | Relay (1.0) Calculated Property | |
| ΔfG° | 296.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 20.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.337 | Crippen Calculated Property | |
| McVol | 222.740 | ml/mol | McGowan Calculated Property |
| Pc | 2371.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2193.00 | NIST | |
| Tboil | 635.91 | K | Relay (1.0) Calculated Property |
| Tc | 934.81 | K | Relay (1.0) Calculated Property |
| Tfus | 453.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Uniconazole.
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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