- InChI
- InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1
- InChI Key
- RMOGWMIKYWRTKW-UHFFFAOYSA-N
- Formula
- C15H20ClN3O
- SMILES
-
CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1
cncn1 - Molecular Weight1
- 293.80
- Other Names
-
- (2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
- (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
- (R*,R*)-(.+/-.)-«beta»-[(4-Chlorophenyl)methyl]-«alpha»-(1,1dimethylethyl)-1H-1,2,4-triazole-1-ethanol
- 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol, (2RS,3RS)-
- 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-«alpha»-(1,1-dimethylethyl)-, (R*,R*)-
- 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-«alpha»-(1,1-dimethylethyl)-, (R*,R*)-(.+/-.)-
- 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-«alpha»-(1,1-dimethylethyl)-, («alpha»R,«beta»R)-rel-
- 1H-1,2,4-Triazole-1-ethanol, «beta»-[(4-chlorophenyl)methyl]-«alpha»-(1,1-dimethylethyl)-, («alpha»R,«beta»R)-rel-
- 2S,3S-Paclobutrazol
- Bonsai
- Bonzi
- Bounty flowable
- Clipper
- Cultar
- Duo Xiao Zuo
- Friazole
- ICI-PP-333
- PP 333
- Paclobutrazole
- Parlay
- Smarect
- Trimmit
- «beta»-((4-Chlorophenyl)methyl)-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol, (R*,R*)-(.+/-.)-
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.122 | Crippen Calculated Property | |
| McVol | 227.040 | ml/mol | McGowan Calculated Property |
| Inp | 2128.00 | NIST | |
| Tfus | 433.81 | K | Solubility determination and thermodynamic modeling of paclobutrazol in nine organic solvents from T = (278.15 to 318.15) K and mixing properties of solutions |
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.
Similar Compounds
Find more compounds similar to Paclobutrazide.
Mixtures
- Acetonitrile + Paclobutrazide
- Ethanol + Paclobutrazide
- 1-Propanol + Paclobutrazide
- 2-Propanol + Paclobutrazide
- Paclobutrazide + Acetone
- Toluene + Paclobutrazide
- Paclobutrazide + 1-Butanol
- Paclobutrazide + Ethyl Acetate
- Paclobutrazide + 1,4-Dioxane
- Ethanol + Paclobutrazide + Water
- 1-Propanol + Paclobutrazide + Water
- Paclobutrazide + 1,4-Dioxane + Water
- Paclobutrazide + Water
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
- Solubility determination and thermodynamic modeling of paclobutrazol in nine organic solvents from T = (278.15 to 318.15) K and mixing properties of solutions
- Solubility modelling and preferential solvation of paclobutrazol in cosolvent mixtures of (ethanol, n-propanol and 1,4-dioxane) + water
- 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.