- InChI
- InChI=1S/C13H15Cl3O3/c1-3-4-5-18-13(17)8(2)19-12-7-10(15)9(14)6-11(12)16/h6-8H,3-5H2,1-2H3
- InChI Key
- VPXVRVAKKVBOLA-UHFFFAOYSA-N
- Formula
- C13H15Cl3O3
- SMILES
-
CCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc
1Cl - Molecular Weight1
- 325.62
- CAS
- 13557-98-7
- Other Names
-
- n-Butyl ester of alpha-(2,4,5-trichlorophenoxy)propionic acid
- 2,4,5-TP, butyl ester
- Fenoprop, butyl ester
- butyl 2-(2,4,5-trichlorophenoxy)propionate
- 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).
- Inp : Non-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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -235.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 4.757 | Crippen Calculated Property | |
| McVol | 220.300 | ml/mol | McGowan Calculated Property |
| Pc | 1968.30 | kPa | Joback Calculated Property |
| Inp | [2035.00; 2035.00] |
|
|
| Inp | 2035.00 | NIST | |
| Inp | 2035.00 | NIST | |
| Tboil | 749.02 | K | Joback Calculated Property |
| Tc | 966.49 | K | Joback Calculated Property |
| Tfus | 469.40 | K | Joback Calculated Property |
| Vc | 0.839 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.32; 607.15] | J/mol×K | [749.02; 966.49] |
|
| Cp,gas | 546.32 | J/mol×K | 749.02 | Joback Calculated Property |
| Cp,gas | 558.64 | J/mol×K | 785.27 | Joback Calculated Property |
| Cp,gas | 570.08 | J/mol×K | 821.51 | Joback Calculated Property |
| Cp,gas | 580.66 | J/mol×K | 857.76 | Joback Calculated Property |
| Cp,gas | 590.36 | J/mol×K | 894.00 | Joback Calculated Property |
| Cp,gas | 599.19 | J/mol×K | 930.25 | Joback Calculated Property |
| Cp,gas | 607.15 | J/mol×K | 966.49 | Joback Calculated Property |
| η | [0.0000910; 0.0006417] | Pa×s | [469.40; 749.02] |
|
| η | 0.0006417 | Pa×s | 469.40 | Joback Calculated Property |
| η | 0.0004000 | Pa×s | 516.00 | Joback Calculated Property |
| η | 0.0002697 | Pa×s | 562.61 | Joback Calculated Property |
| η | 0.0001931 | Pa×s | 609.21 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 655.81 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 702.42 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 749.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-(2,4,5-trichlorophenoxy)-, butyl ester.
Sources
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