- InChI
- InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
- InChI Key
- WHOKDONDRZNCBC-UHFFFAOYSA-N
- Formula
- C11H12Cl2O3
- SMILES
- CC(C)OC(=O)COc1ccc(Cl)cc1Cl
- Molecular Weight1
- 263.12
- CAS
- 94-11-1
- Other Names
-
- (2,4-Dichlorophenoxy)acetic acid isopropyl ester
- 2,4-D isopropyl ester
- Acetic acid, (2,4-dichlorophenoxy)-, isopropyl ester
- Esteron 44
- Isopropyl (2,4-dichlorophenoxy)acetate
- Isopropyl 2,4-D ester
- Isopropylester kyseliny 2,4-dichlorfenoxyoctove
- Weedone 128
- 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).
- 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.
- 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° | -230.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 3.324 | Crippen Calculated Property | |
| McVol | 179.880 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1700.00] |
|
|
| Inp | 1700.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Tboil | 660.85 | K | Joback Calculated Property |
| Tc | 881.40 | K | Joback Calculated Property |
| Tfus | 404.42 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.47; 483.57] | J/mol×K | [660.85; 881.40] |
|
| Cp,gas | 421.47 | J/mol×K | 660.85 | Joback Calculated Property |
| Cp,gas | 433.77 | J/mol×K | 697.61 | Joback Calculated Property |
| Cp,gas | 445.29 | J/mol×K | 734.37 | Joback Calculated Property |
| Cp,gas | 456.03 | J/mol×K | 771.12 | Joback Calculated Property |
| Cp,gas | 465.99 | J/mol×K | 807.88 | Joback Calculated Property |
| Cp,gas | 475.17 | J/mol×K | 844.64 | Joback Calculated Property |
| Cp,gas | 483.57 | J/mol×K | 881.40 | Joback Calculated Property |
| η | [0.0001298; 0.0010197] | Pa×s | [404.42; 660.85] |
|
| η | 0.0010197 | Pa×s | 404.42 | Joback Calculated Property |
| η | 0.0006138 | Pa×s | 447.16 | Joback Calculated Property |
| η | 0.0004037 | Pa×s | 489.90 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 532.63 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 575.37 | Joback Calculated Property |
| η | 0.0001626 | Pa×s | 618.11 | Joback Calculated Property |
| η | 0.0001298 | Pa×s | 660.85 | Joback Calculated Property |
| ΔvapH | 69.50 | kJ/mol | 516.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [445.61; 705.06] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.08352e+01 | |||
| Coefficient B | -3.00888e+03 | |||
| Coefficient C | -1.60340e+02 | |||
| Temperature range, min. | 445.61 | |||
| Temperature range, max. | 705.06 | |||
| Pvap | 1.33 | kPa | 445.61 | Calculated Property |
| Pvap | 3.51 | kPa | 474.44 | Calculated Property |
| Pvap | 7.85 | kPa | 503.27 | Calculated Property |
| Pvap | 15.51 | kPa | 532.09 | Calculated Property |
| Pvap | 27.77 | kPa | 560.92 | Calculated Property |
| Pvap | 45.98 | kPa | 589.75 | Calculated Property |
| Pvap | 71.45 | kPa | 618.58 | Calculated Property |
| Pvap | 105.38 | kPa | 647.40 | Calculated Property |
| Pvap | 148.83 | kPa | 676.23 | Calculated Property |
| Pvap | 202.64 | kPa | 705.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (2,4-dichlorophenoxy)-, 1-methylethyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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