- InChI
- InChI=1S/C14H19Cl3N2O2/c1-2-3-4-5-6-7-8-21-14(20)12-9(15)11(18)10(16)13(17)19-12/h2-8H2,1H3,(H2,18,19)
- InChI Key
- CYMBTOZDBGCUJT-UHFFFAOYSA-N
- Formula
- C14H19Cl3N2O2
- SMILES
-
CCCCCCCCOC(=O)c1nc(Cl)c(Cl)c(N
)c1Cl - Molecular Weight1
- 353.67
- 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 | 0.9296 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -447.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.141 | Crippen Calculated Property | |
| McVol | 248.480 | ml/mol | McGowan Calculated Property |
| Pc | 1617.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3220.00; 3220.00] |
|
|
| Inp | 3220.00 | NIST | |
| Inp | 3220.00 | NIST | |
| Tboil | 637.72 | K | Relay (1.0) Calculated Property |
| Tc | 907.07 | K | Relay (1.0) Calculated Property |
| Tfus | 351.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Picloram, octyl ester.
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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