- InChI
- InChI=1S/C5H7Cl3O2/c1-2-4(9)10-3-5(6,7)8/h2-3H2,1H3
- InChI Key
- MEFWWUOADZDECZ-UHFFFAOYSA-N
- Formula
- C5H7Cl3O2
- SMILES
- CCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 205.47
- Other Names
-
- 2,2,2-Trichloroethyl propionate
- 2,2,2-Trichloroethyl propanoate
- 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.
- I : 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° | -275.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 2.310 | Crippen Calculated Property | |
| McVol | 125.470 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | [1057.00; 1101.00] |
|
|
| Inp | 1078.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | Outlier 1057.00 | NIST | |
| Inp | 1087.00 | NIST | |
| I | [1484.00; 1532.00] |
|
|
| I | 1484.00 | NIST | |
| I | 1504.00 | NIST | |
| I | 1494.00 | NIST | |
| I | 1532.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1484.00 | NIST | |
| Tboil | 499.15 | K | Joback Calculated Property |
| Tc | 710.20 | K | Joback Calculated Property |
| Tfus | 310.45 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.65; 277.09] | J/mol×K | [499.15; 710.20] |
|
| Cp,gas | 234.65 | J/mol×K | 499.15 | Joback Calculated Property |
| Cp,gas | 243.00 | J/mol×K | 534.32 | Joback Calculated Property |
| Cp,gas | 250.81 | J/mol×K | 569.50 | Joback Calculated Property |
| Cp,gas | 258.10 | J/mol×K | 604.67 | Joback Calculated Property |
| Cp,gas | 264.90 | J/mol×K | 639.85 | Joback Calculated Property |
| Cp,gas | 271.22 | J/mol×K | 675.02 | Joback Calculated Property |
| Cp,gas | 277.09 | J/mol×K | 710.20 | Joback Calculated Property |
| η | [0.0003190; 0.0032418] | Pa×s | [310.45; 499.15] |
|
| η | 0.0032418 | Pa×s | 310.45 | Joback Calculated Property |
| η | 0.0018441 | Pa×s | 341.90 | Joback Calculated Property |
| η | 0.0011536 | Pa×s | 373.35 | Joback Calculated Property |
| η | 0.0007762 | Pa×s | 404.80 | Joback Calculated Property |
| η | 0.0005530 | Pa×s | 436.25 | Joback Calculated Property |
| η | 0.0004123 | Pa×s | 467.70 | Joback Calculated Property |
| η | 0.0003190 | Pa×s | 499.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2,2-trichloroethyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.