- 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
- InChI Key
- RMOGWMIKYWRTKW-UHFFFAOYSA-N
- Formula
- C15H20ClN3O
- SMILES
-
CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1
cncn1 - Molecular Weight1
- 293.79
- CAS
- 76738-62-0
- 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*)-(.+/-.)-
- 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 | 0.7202 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -30.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.122 | Crippen Calculated Property | |
| McVol | 227.040 | ml/mol | McGowan Calculated Property |
| Pc | 2271.47 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2128.00 | NIST | |
| Tboil | 637.95 | K | Relay (1.0) Calculated Property |
| Tc | 923.77 | K | Relay (1.0) Calculated Property |
| 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 |
| Vc | 0.817 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Paclobutrazol.
Mixtures
- Acetonitrile + Paclobutrazol
- Ethanol + Paclobutrazol
- 1-Propanol + Paclobutrazol
- Isopropyl Alcohol + Paclobutrazol
- Paclobutrazol + Acetone
- Toluene + Paclobutrazol
- Paclobutrazol + 1-Butanol
- Paclobutrazol + Ethyl Acetate
- Paclobutrazol + 1,4-Dioxane
- Ethanol + Paclobutrazol + Water
- 1-Propanol + Paclobutrazol + Water
- Paclobutrazol + 1,4-Dioxane + Water
- Paclobutrazol + 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
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