- InChI
- InChI=1S/C10H11Cl2NO2/c1-2-3-6-15-10(14)9-7(11)4-5-8(12)13-9/h4-5H,2-3,6H2,1H3
- InChI Key
- JCVWIGPXJMTLOK-UHFFFAOYSA-N
- Formula
- C10H11Cl2NO2
- SMILES
- CCCCOC(=O)c1nc(Cl)ccc1Cl
- Molecular Weight1
- 248.11
- Other Names
-
- 2-Pyridinecarboxylic acid, 3,6-dichloro-, n-butyl ester
- 2,6-Dichloropyridine-2-carboxylic acid, n-butyl ester
- 3,6-Dichloropicolinic acid, n-butyl ester
- Clopyralid acid, butyl ester
- 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 | 0.6434 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -354.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.345 | Crippen Calculated Property | |
| McVol | 169.900 | ml/mol | McGowan Calculated Property |
| Pc | 2491.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1726.00; 1726.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 565.73 | K | Relay (1.0) Calculated Property |
| Tc | 784.36 | K | Relay (1.0) Calculated Property |
| Tfus | 299.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Butyl 3,6-dichloropyridine-2-carboxylate.
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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