- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -244.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.545 | Crippen Calculated Property | |
| McVol | 151.700 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback 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 | 615.53 | K | Joback Calculated Property |
| Tc | 839.68 | K | Joback Calculated Property |
| Tfus | [310.70; 315.40] | K |
|
| Tfus | 310.70 | K | Standar... |
| Tfus | 315.40 ± 0.20 | K | NIST |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.15; 378.14] | J/mol×K | [615.53; 839.68] |
|
| Cp,gas | 325.15 | J/mol×K | 615.53 | Joback Calculated Property |
| Cp,gas | 335.55 | J/mol×K | 652.89 | Joback Calculated Property |
| Cp,gas | 345.33 | J/mol×K | 690.25 | Joback Calculated Property |
| Cp,gas | 354.49 | J/mol×K | 727.60 | Joback Calculated Property |
| Cp,gas | 363.02 | J/mol×K | 764.96 | Joback Calculated Property |
| Cp,gas | 370.91 | J/mol×K | 802.32 | Joback Calculated Property |
| Cp,gas | 378.14 | J/mol×K | 839.68 | Joback Calculated Property |
| η | [0.0001737; 0.0009703] | Pa×s | [396.88; 615.53] |
|
| η | 0.0009703 | Pa×s | 396.88 | Joback Calculated Property |
| η | 0.0006457 | Pa×s | 433.32 | Joback Calculated Property |
| η | 0.0004578 | Pa×s | 469.76 | Joback Calculated Property |
| η | 0.0003410 | Pa×s | 506.20 | Joback Calculated Property |
| η | 0.0002642 | Pa×s | 542.65 | Joback Calculated Property |
| η | 0.0002115 | Pa×s | 579.09 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 615.53 | 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 Yaw...
|
| 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
- 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
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