- InChI
- InChI=1S/C10H9Cl3O3/c1-2-15-10(14)5-16-9-4-7(12)6(11)3-8(9)13/h3-4H,2,5H2,1H3
- InChI Key
- LVNNFHCEDQSWSC-UHFFFAOYSA-N
- Formula
- C10H9Cl3O3
- SMILES
- CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 283.54
- CAS
- 1928-39-8
- Other Names
-
- ethyl 2,4,5-trichlorophenoxyacetate
- (2,4,5-Trichlorophenoxy)acetic acid, ethyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6481 | Relay (1.0) Calculated Property | |
| ΔfG° | -257.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.589 | Crippen Calculated Property | |
| McVol | 178.030 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Tboil | 574.64 | K | Relay (1.0) Calculated Property |
| Tc | 807.73 | K | Relay (1.0) Calculated Property |
| Tfus | 353.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.14; 444.44] | J/mol×K | [680.82; 904.94] | 
|
| Cp,gas | 393.14 | J/mol×K | 680.82 | Joback Calculated Property |
| Cp,gas | 403.41 | J/mol×K | 718.17 | Joback Calculated Property |
| Cp,gas | 413.01 | J/mol×K | 755.53 | Joback Calculated Property |
| Cp,gas | 421.92 | J/mol×K | 792.88 | Joback Calculated Property |
| Cp,gas | 430.14 | J/mol×K | 830.23 | Joback Calculated Property |
| Cp,gas | 437.65 | J/mol×K | 867.58 | Joback Calculated Property |
| Cp,gas | 444.44 | J/mol×K | 904.94 | Joback Calculated Property |
| η | [0.0001428; 0.0007093] | Pa×s | [450.59; 680.82] |
|
| η | 0.0007093 | Pa×s | 450.59 | Joback Calculated Property |
| η | 0.0004890 | Pa×s | 488.96 | Joback Calculated Property |
| η | 0.0003558 | Pa×s | 527.33 | Joback Calculated Property |
| η | 0.0002703 | Pa×s | 565.71 | Joback Calculated Property |
| η | 0.0002127 | Pa×s | 604.08 | Joback Calculated Property |
| η | 0.0001722 | Pa×s | 642.45 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 680.82 | Joback Calculated Property |
| ΔvapH | 76.40 | kJ/mol | 508.50 | NIST |
Similar Compounds
Find more compounds similar to 2,4,5-T, ethyl ester.
Sources
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