- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 470 480 490 500 510 520 530 540 700 800 900 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 500 600 | ||||
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 600 700 | ||||
| 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
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. Take the time to validate and double check the source of the data.