- InChI
- InChI=1S/C4H5Cl3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
- InChI Key
- XHAXVDWUMCHTCY-UHFFFAOYSA-N
- Formula
- C4H5Cl3O2
- SMILES
- CC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 191.44
- CAS
- 625-24-1
- Other Names
-
- Acetic acid, 2,2,2-trichloroethyl 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3496 | Relay (1.0) Calculated Property | |
| ΔfG° | -360.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.920 | Crippen Calculated Property | |
| McVol | 111.380 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Inp | [965.00; 999.00] |
|
|
| Inp | 974.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 988.00 | NIST | |
| I | [1422.00; 1470.00] |
|
|
| I | 1422.00 | NIST | |
| I | 1441.00 | NIST | |
| I | 1432.00 | NIST | |
| I | Outlier 1470.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1422.00 | NIST | |
| Tboil | 448.45 | K | Relay (1.0) Calculated Property |
| Tc | 642.06 | K | Relay (1.0) Calculated Property |
| Tfus | 301.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.43; 260.08] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.88610e+01 | |||
| Coefficient B | 4.75220e-01 | |||
| Coefficient C | -3.32200e-04 | |||
| Coefficient D | 7.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 189.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 206.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 220.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 232.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 242.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 249.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 255.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 260.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0056990; 0.0003167] | Pa×s | [269.35; 468.51] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.19664e+01 | |||
| Coefficient B | 1.83130e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 269.35 | |||
| Temperature range, max. | 468.51 | |||
| η | 0.0056990 | Pa×s | 269.35 | Calculated Property |
| η | 0.0034012 | Pa×s | 291.48 | Calculated Property |
| η | 0.0021832 | Pa×s | 313.61 | Calculated Property |
| η | 0.0014857 | Pa×s | 335.74 | Calculated Property |
| η | 0.0010604 | Pa×s | 357.87 | Calculated Property |
| η | 0.0007871 | Pa×s | 380.00 | Calculated Property |
| η | 0.0006037 | Pa×s | 402.12 | Calculated Property |
| η | 0.0004761 | Pa×s | 424.25 | Calculated Property |
| η | 0.0003844 | Pa×s | 446.38 | Calculated Property |
| η | 0.0003167 | Pa×s | 468.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl acetate.
Sources
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