- InChI
- InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
- InChI Key
- WKBPZYKAUNRMKP-UHFFFAOYSA-N
- Formula
- C13H15Cl2N3
- SMILES
- CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl
- Molecular Weight1
- 284.18
- CAS
- 87501-25-5
- Other Names
-
- 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-
- 1-[2-(2,4-Dichlorophenyl)pentyl]-1H-1,2,4-triazole
- Award
- CGA 71818
- Topas 100
- Topaz
- Topaze
- 1-[2-(2,4-Dichlorophenyl)pentyl]-1H-1,2,4-triazole (penconazole)
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.5997 | Relay (1.0) Calculated Property | |
| ΔfG° | 359.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 159.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.169 | Crippen Calculated Property | |
| McVol | 205.230 | ml/mol | McGowan Calculated Property |
| Pc | 2540.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2048.00; 2064.00] |
|
|
| Inp | 2048.00 | NIST | |
| Inp | 2054.00 | NIST | |
| Inp | 2060.00 | NIST | |
| Inp | 2064.00 | NIST | |
| Tboil | 625.84 | K | Relay (1.0) Calculated Property |
| Tc | 887.79 | K | Relay (1.0) Calculated Property |
| Tfus | 334.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 33.58 | kJ/mol | 332.40 | NIST |
Similar Compounds
Find more compounds similar to Penconazole.
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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