- InChI
- InChI=1S/C17H25Cl3N2O2/c1-2-3-4-5-6-7-8-9-10-11-24-17(23)15-12(18)14(21)13(19)16(20)22-15/h2-11H2,1H3,(H2,21,22)
- InChI Key
- HHSUVRULOPGTGX-UHFFFAOYSA-N
- Formula
- C17H25Cl3N2O2
- SMILES
-
CCCCCCCCCCCOC(=O)c1nc(Cl)c(Cl)
c(N)c1Cl - Molecular Weight1
- 395.75
- 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 | 1.0402 | Relay (1.0) Calculated Property | |
| ΔfG° | -50.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -514.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.312 | Crippen Calculated Property | |
| McVol | 290.750 | ml/mol | McGowan Calculated Property |
| Pc | 1312.25 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3533.00; 3533.00] |
|
|
| Inp | 3533.00 | NIST | |
| Inp | 3533.00 | NIST | |
| Tboil | 657.96 | K | Relay (1.0) Calculated Property |
| Tc | 927.60 | K | Relay (1.0) Calculated Property |
| Tfus | 353.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.080 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Picloram, undecyl 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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