- InChI
- InChI=1S/C16H22Cl2O3/c1-3-4-5-6-7-12(2)21-16(19)11-20-15-9-8-13(17)10-14(15)18/h8-10,12H,3-7,11H2,1-2H3
- InChI Key
- GJNVTNDAZUATRV-UHFFFAOYSA-N
- Formula
- C16H22Cl2O3
- SMILES
-
CCCCCCC(C)OC(=O)COc1ccc(Cl)cc1
Cl - Molecular Weight1
- 333.25
- CAS
- 1917-97-1
- Other Names
-
- 2,4-Dichlorophenoxyacetic acid, (1-methylheptyl) ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 39.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.274 | Crippen Calculated Property | |
| McVol | 250.330 | ml/mol | McGowan Calculated Property |
| Tboil | 605.57 | K | Relay (1.0) Calculated Property |
| Tfus | 311.85 | K | Relay (1.0) Calculated Property |
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, Ionization energy 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 | [685.13; 758.39] | J/mol×K | [775.25; 981.60] | 
|
| Cp,gas | 685.13 | J/mol×K | 775.25 | Joback Calculated Property |
| Cp,gas | 699.76 | J/mol×K | 809.64 | Joback Calculated Property |
| Cp,gas | 713.41 | J/mol×K | 844.03 | Joback Calculated Property |
| Cp,gas | 726.08 | J/mol×K | 878.43 | Joback Calculated Property |
| Cp,gas | 737.79 | J/mol×K | 912.82 | Joback Calculated Property |
| Cp,gas | 748.56 | J/mol×K | 947.21 | Joback Calculated Property |
| Cp,gas | 758.39 | J/mol×K | 981.60 | Joback Calculated Property |
| η | [0.0000691; 0.0006928] | Pa×s | [460.77; 775.25] |
|
| η | 0.0006928 | Pa×s | 460.77 | Joback Calculated Property |
| η | 0.0003877 | Pa×s | 513.18 | Joback Calculated Property |
| η | 0.0002416 | Pa×s | 565.60 | Joback Calculated Property |
| η | 0.0001632 | Pa×s | 618.01 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 670.42 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 722.84 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 775.25 | Joback Calculated Property |
| ΔvapH | 83.00 | kJ/mol | 517.50 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, (2,4-dichlorophenoxy)-,2-octyl 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
- Joback Method
- McGowan Method
- NIST Webbook
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