- InChI
- InChI=1S/C13H16Cl2O3/c1-2-3-4-7-17-13(16)9-18-12-6-5-10(14)8-11(12)15/h5-6,8H,2-4,7,9H2,1H3
- InChI Key
- VZCCHPAEDSPPDG-UHFFFAOYSA-N
- Formula
- C13H16Cl2O3
- SMILES
- CCCCCOC(=O)COc1ccc(Cl)cc1Cl
- Molecular Weight1
- 291.17
- CAS
- 1917-92-6
- Other Names
-
- pentyl (2,4-dichlorophenoxy)acetate
- Acetic acid, 2-(2,4-dichlorophenoxy)-, pentyl 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° | -211.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 4.106 | Crippen Calculated Property | |
| McVol | 208.060 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Tboil | 707.05 | K | Joback Calculated Property |
| Tc | 916.94 | K | Joback Calculated Property |
| Tfus | 441.96 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.62; 589.55] | J/mol×K | [707.05; 916.94] | 
|
| Cp,gas | 522.62 | J/mol×K | 707.05 | Joback Calculated Property |
| Cp,gas | 535.83 | J/mol×K | 742.03 | Joback Calculated Property |
| Cp,gas | 548.22 | J/mol×K | 777.01 | Joback Calculated Property |
| Cp,gas | 559.78 | J/mol×K | 812.00 | Joback Calculated Property |
| Cp,gas | 570.52 | J/mol×K | 846.98 | Joback Calculated Property |
| Cp,gas | 580.44 | J/mol×K | 881.96 | Joback Calculated Property |
| Cp,gas | 589.55 | J/mol×K | 916.94 | Joback Calculated Property |
| η | [0.0001104; 0.0007759] | Pa×s | [441.96; 707.05] |
|
| η | 0.0007759 | Pa×s | 441.96 | Joback Calculated Property |
| η | 0.0004836 | Pa×s | 486.14 | Joback Calculated Property |
| η | 0.0003262 | Pa×s | 530.32 | Joback Calculated Property |
| η | 0.0002337 | Pa×s | 574.50 | Joback Calculated Property |
| η | 0.0001756 | Pa×s | 618.69 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 662.87 | Joback Calculated Property |
| η | 0.0001104 | Pa×s | 707.05 | Joback Calculated Property |
| ΔvapH | 73.60 | kJ/mol | 508.50 | NIST |
Similar Compounds
Find more compounds similar to 2,4-D Pentyl ester.
Sources
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