- InChI
- InChI=1S/C22H35Cl3N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-22(28)20-17(23)19(26)18(24)21(25)27-20/h2-16H2,1H3,(H2,26,27)
- InChI Key
- MTBSKBBONHYZNG-UHFFFAOYSA-N
- Formula
- C22H35Cl3N2O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1nc(Cl)
c(Cl)c(N)c1Cl - Molecular Weight1
- 465.88
- 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 | 1.2204 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -622.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.262 | Crippen Calculated Property | |
| McVol | 361.200 | ml/mol | McGowan Calculated Property |
| Pc | 856.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2887.00; 2887.00] |
|
|
| Inp | 2887.00 | NIST | |
| Inp | 2887.00 | NIST | |
| Tboil | 691.36 | K | Relay (1.0) Calculated Property |
| Tc | 958.93 | K | Relay (1.0) Calculated Property |
| Tfus | 360.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.353 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Picloram, hexadecyl 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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