- InChI
- InChI=1S/C12H13Cl3O4/c13-8-5-10(15)11(6-9(8)14)19-7-12(17)18-4-2-1-3-16/h5-6,16H,1-4,7H2
- InChI Key
- VXWTVROLUSKWJR-UHFFFAOYSA-N
- Formula
- C12H13Cl3O4
- SMILES
-
O=C(COc1cc(Cl)c(Cl)cc1Cl)OCCCC
O - Molecular Weight1
- 327.59
- CAS
- 40583-17-3
- Other Names
-
- 4-hydroxybutyl (2,4,5-trichlorophenoxy)acetate
- 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).
- 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° | -377.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.87 | Crippen Calculated Property | |
| logPoct/wat | 3.341 | Crippen Calculated Property | |
| McVol | 212.080 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Tboil | 818.76 | K | Joback Calculated Property |
| Tc | 1026.04 | K | Joback Calculated Property |
| Tfus | 533.95 | K | Joback Calculated Property |
| Vc | 0.807 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.67; 584.44] | J/mol×K | [818.76; 1026.04] | 
|
| Cp,gas | 539.67 | J/mol×K | 818.76 | Joback Calculated Property |
| Cp,gas | 548.98 | J/mol×K | 853.31 | Joback Calculated Property |
| Cp,gas | 557.54 | J/mol×K | 887.85 | Joback Calculated Property |
| Cp,gas | 565.37 | J/mol×K | 922.40 | Joback Calculated Property |
| Cp,gas | 572.47 | J/mol×K | 956.95 | Joback Calculated Property |
| Cp,gas | 578.82 | J/mol×K | 991.49 | Joback Calculated Property |
| Cp,gas | 584.44 | J/mol×K | 1026.04 | Joback Calculated Property |
| η | [0.0000195; 0.0002723] | Pa×s | [533.95; 818.76] |
|
| η | 0.0002723 | Pa×s | 533.95 | Joback Calculated Property |
| η | 0.0001467 | Pa×s | 581.42 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 628.89 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 676.36 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 723.82 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 771.29 | Joback Calculated Property |
| η | 0.0000195 | Pa×s | 818.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2,4,5-Trichlorophenoxy)acetic acid, monobutylene glycol ester.
Sources
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