- InChI
- InChI=1S/C12H13Cl3O2/c1-3-7(4-2)12(16)17-10-6-8(13)5-9(14)11(10)15/h5-7H,3-4H2,1-2H3
- InChI Key
- QKHFAMMRYMHVQR-UHFFFAOYSA-N
- Formula
- C12H13Cl3O2
- SMILES
-
CCC(CC)C(=O)Oc1cc(Cl)cc(Cl)c1C
l - Molecular Weight1
- 295.59
- 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° | -138.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.988 | Crippen Calculated Property | |
| McVol | 200.340 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [1840.00; 1840.00] |
|
|
| Inp | 1840.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Tboil | 703.72 | K | Joback Calculated Property |
| Tc | 927.03 | K | Joback Calculated Property |
| Tfus | 435.90 | K | Joback Calculated Property |
| Vc | 0.764 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.65; 529.90] | J/mol×K | [703.72; 927.03] |
|
| Cp,gas | 469.65 | J/mol×K | 703.72 | Joback Calculated Property |
| Cp,gas | 481.68 | J/mol×K | 740.94 | Joback Calculated Property |
| Cp,gas | 492.90 | J/mol×K | 778.16 | Joback Calculated Property |
| Cp,gas | 503.31 | J/mol×K | 815.38 | Joback Calculated Property |
| Cp,gas | 512.94 | J/mol×K | 852.60 | Joback Calculated Property |
| Cp,gas | 521.80 | J/mol×K | 889.81 | Joback Calculated Property |
| Cp,gas | 529.90 | J/mol×K | 927.03 | Joback Calculated Property |
| η | [0.0001346; 0.0009519] | Pa×s | [435.90; 703.72] |
|
| η | 0.0009519 | Pa×s | 435.90 | Joback Calculated Property |
| η | 0.0005906 | Pa×s | 480.54 | Joback Calculated Property |
| η | 0.0003974 | Pa×s | 525.17 | Joback Calculated Property |
| η | 0.0002845 | Pa×s | 569.81 | Joback Calculated Property |
| η | 0.0002138 | Pa×s | 614.45 | Joback Calculated Property |
| η | 0.0001670 | Pa×s | 659.08 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 703.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2,3,5-trichlorophenyl ester.
Sources
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