- InChI
- InChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
- InChI Key
- HWIGZMADSFQMOI-UHFFFAOYSA-N
- Formula
- C9H8Cl2O3
- SMILES
- COC(=O)COc1ccc(Cl)cc1Cl
- Molecular Weight1
- 235.06
- CAS
- 1928-38-7
- Other Names
-
- (2,4-Dichlorophenoxy)acetic acid, methyl ester
- Acetic acid, (2,4-dichlorophenoxy)-, methyl ester
- Acetic acid, (2,4-dichlorophenoxy)-, methylated
- D (2,4-) methylester
- Methyl (2,4-dichlorophenoxy)acetate
- Methyl 2,4-D ester
- Methyl ester of 2,4-Dichlorophenoxyacetic acid
- ethanoic acid, 2,4-dichlorophenoxy-, methyl ester
- methyl 2,4-dichlorophenoxyacetate
- methyl 2,4-dichlorophenoxyethanoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.545 | Crippen Calculated Property | |
| McVol | 151.700 | ml/mol | McGowan Calculated Property |
| Inp | [1581.00; 1606.00] |
|
|
| Inp | 1590.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1591.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1605.00 | NIST | |
| I | [2395.00; 2465.00] |
|
|
| I | 2395.00 | NIST | |
| I | 2396.00 | NIST | |
| I | 2465.00 | NIST | |
| I | 2465.00 | NIST | |
| I | 2395.00 | NIST | |
| Tboil | 548.78 | K | Relay (1.0) Calculated Property |
| Tfus | [310.70; 315.40] | K |
|
| Tfus | 310.70 | K | Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters |
| Tfus | 315.40 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.17; 376.87] | J/mol×K | [597.66; 819.69] |
|
| Cp,gas | 323.17 | J/mol×K | 597.66 | Joback Calculated Property |
| Cp,gas | 333.79 | J/mol×K | 634.66 | Joback Calculated Property |
| Cp,gas | 343.75 | J/mol×K | 671.67 | Joback Calculated Property |
| Cp,gas | 353.05 | J/mol×K | 708.67 | Joback Calculated Property |
| Cp,gas | 361.67 | J/mol×K | 745.68 | Joback Calculated Property |
| Cp,gas | 369.61 | J/mol×K | 782.68 | Joback Calculated Property |
| Cp,gas | 376.87 | J/mol×K | 819.69 | Joback Calculated Property |
| η | [0.0001571; 0.0012114] | Pa×s | [367.05; 597.66] |
|
| η | 0.0012114 | Pa×s | 367.05 | Joback Calculated Property |
| η | 0.0007334 | Pa×s | 405.49 | Joback Calculated Property |
| η | 0.0004844 | Pa×s | 443.92 | Joback Calculated Property |
| η | 0.0003417 | Pa×s | 482.36 | Joback Calculated Property |
| η | 0.0002538 | Pa×s | 520.79 | Joback Calculated Property |
| η | 0.0001964 | Pa×s | 559.23 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 597.66 | Joback Calculated Property |
| ΔfusH | [20.00; 25.10] | kJ/mol | [313.40; 315.40] |
|
| ΔfusH | 20.00 | kJ/mol | 313.40 | NIST |
| ΔfusH | 25.10 | kJ/mol | 315.40 | NIST |
| ΔfusH | 25.10 | kJ/mol | 315.40 | NIST |
| ΔvapH | 68.00 | kJ/mol | 475.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.29; 202.67] | kPa | [403.00; 651.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42863e+01 | |||
| Coefficient B | -5.28300e+03 | |||
| Coefficient C | -6.24900e+01 | |||
| Temperature range, min. | 403.00 | |||
| Temperature range, max. | 651.14 | |||
| Pvap | 0.29 | kPa | 403.00 | Calculated Property |
| Pvap | 0.94 | kPa | 430.57 | Calculated Property |
| Pvap | 2.54 | kPa | 458.14 | Calculated Property |
| Pvap | 6.07 | kPa | 485.71 | Calculated Property |
| Pvap | 13.03 | kPa | 513.28 | Calculated Property |
| Pvap | 25.60 | kPa | 540.86 | Calculated Property |
| Pvap | 46.73 | kPa | 568.43 | Calculated Property |
| Pvap | 80.15 | kPa | 596.00 | Calculated Property |
| Pvap | 130.39 | kPa | 623.57 | Calculated Property |
| Pvap | 202.67 | kPa | 651.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-D methyl 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
- Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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