- InChI
- InChI=1S/C16H22Cl2O3/c1-2-3-4-5-6-7-10-20-16(19)12-21-15-9-8-13(17)11-14(15)18/h8-9,11H,2-7,10,12H2,1H3
- InChI Key
- JWEDKKSQRXHXJD-UHFFFAOYSA-N
- Formula
- C16H22Cl2O3
- SMILES
- CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl
- Molecular Weight1
- 333.25
- CAS
- 1928-44-5
- Other Names
-
- 2,4-Dichlorophenoxyacetic acid, octyl ester
- 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).
- 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° | -185.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 5.276 | Crippen Calculated Property | |
| McVol | 250.330 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Tboil | 775.69 | K | Joback Calculated Property |
| Tc | 979.25 | K | Joback Calculated Property |
| Tfus | 475.77 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.57; 757.17] | J/mol×K | [775.69; 979.25] | 
|
| Cp,gas | 684.57 | J/mol×K | 775.69 | Joback Calculated Property |
| Cp,gas | 699.00 | J/mol×K | 809.62 | Joback Calculated Property |
| Cp,gas | 712.48 | J/mol×K | 843.54 | Joback Calculated Property |
| Cp,gas | 725.03 | J/mol×K | 877.47 | Joback Calculated Property |
| Cp,gas | 736.65 | J/mol×K | 911.40 | Joback Calculated Property |
| Cp,gas | 747.36 | J/mol×K | 945.32 | Joback Calculated Property |
| Cp,gas | 757.17 | J/mol×K | 979.25 | Joback Calculated Property |
| η | [0.0000751; 0.0006116] | Pa×s | [475.77; 775.69] |
|
| η | 0.0006116 | Pa×s | 475.77 | Joback Calculated Property |
| η | 0.0003652 | Pa×s | 525.76 | Joback Calculated Property |
| η | 0.0002385 | Pa×s | 575.74 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 625.73 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 675.72 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 725.70 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 775.69 | Joback Calculated Property |
| ΔvapH | 87.90 | kJ/mol | 516.50 | NIST |
Similar Compounds
Find more compounds similar to Octyl (2,4-dichlorophenoxy)acetate.
Sources
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