- InChI
- InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
- InChI Key
- UQMRAFJOBWOFNS-UHFFFAOYSA-N
- Formula
- C12H14Cl2O3
- SMILES
- CCCCOC(=O)COc1ccc(Cl)cc1Cl
- Molecular Weight1
- 277.14
- CAS
- 94-80-4
- Other Names
-
- 2,4-D butyl ester
- 2,4-D n-butyl ester
- 2,4-DBE
- 2,4-Dichlorophenoxyacetic acid butyl ester
- 2,4-Dichlorophenoxyacetic acid n-butyl ester
- Butapon
- Butyl (2,4-dichlorophenoxy)acetate
- Butyl 2,4-D
- Butyl dichlorophenoxyacetate
- Butyl ester 2,4-D
- Butyl ester of 2,4-D
- Esso Herbicide 10
- Fernesta
- Hi-Ester 2,4-D
- Lironox
- NSC 409767
- Shell 40
- n-Butylester kyseliny 2,4-dichlorfenoxyoctove
- 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.
- 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° | -219.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 193.970 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1840.00; 1841.00] |
|
|
| Inp | 1840.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Inp | 1841.00 | NIST | |
| I | [2641.00; 2641.00] |
|
|
| I | 2641.00 | NIST | |
| I | 2641.00 | NIST | |
| I | 2641.00 | NIST | |
| Tboil | 684.17 | K | Joback Calculated Property |
| Tc | 897.09 | K | Joback Calculated Property |
| Tfus | 430.69 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.09; 535.35] | J/mol×K | [684.17; 897.09] |
|
| Cp,gas | 471.09 | J/mol×K | 684.17 | Joback Calculated Property |
| Cp,gas | 483.75 | J/mol×K | 719.66 | Joback Calculated Property |
| Cp,gas | 495.64 | J/mol×K | 755.14 | Joback Calculated Property |
| Cp,gas | 506.74 | J/mol×K | 790.63 | Joback Calculated Property |
| Cp,gas | 517.06 | J/mol×K | 826.11 | Joback Calculated Property |
| Cp,gas | 526.59 | J/mol×K | 861.60 | Joback Calculated Property |
| Cp,gas | 535.35 | J/mol×K | 897.09 | Joback Calculated Property |
| η | [0.0001246; 0.0008297] | Pa×s | [430.69; 684.17] |
|
| η | 0.0008297 | Pa×s | 430.69 | Joback Calculated Property |
| η | 0.0005252 | Pa×s | 472.94 | Joback Calculated Property |
| η | 0.0003584 | Pa×s | 515.18 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 557.43 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 599.68 | Joback Calculated Property |
| η | 0.0001540 | Pa×s | 641.92 | Joback Calculated Property |
| η | 0.0001246 | Pa×s | 684.17 | Joback Calculated Property |
| ΔvapH | 76.30 | kJ/mol | 508.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.68; 202.65] | kPa | [444.00; 718.79] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.15048e+01 | |||
| Coefficient B | -3.55327e+03 | |||
| Coefficient C | -1.45060e+02 | |||
| Temperature range, min. | 444.00 | |||
| Temperature range, max. | 718.79 | |||
| Pvap | 0.68 | kPa | 444.00 | Calculated Property |
| Pvap | 2.05 | kPa | 474.53 | Calculated Property |
| Pvap | 5.13 | kPa | 505.06 | Calculated Property |
| Pvap | 11.09 | kPa | 535.60 | Calculated Property |
| Pvap | 21.46 | kPa | 566.13 | Calculated Property |
| Pvap | 37.96 | kPa | 596.66 | Calculated Property |
| Pvap | 62.48 | kPa | 627.19 | Calculated Property |
| Pvap | 96.91 | kPa | 657.73 | Calculated Property |
| Pvap | 143.07 | kPa | 688.26 | Calculated Property |
| Pvap | 202.65 | kPa | 718.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (2,4-dichlorophenoxy)-, butyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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