- InChI
- InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
- InChI Key
- IWYBVQLPTCMVFO-UHFFFAOYSA-N
- Formula
- C4H6Cl2O2
- SMILES
- CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 157.00
- CAS
- 535-15-9
- Other Names
-
- Dichloroacetic acid, ethyl ester
- Ethyl 2,2-dichloroacetate
- Ethyl dichloroacetate
- Ethyl dichloroethanoate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Pvap : Vapor 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 | 0.3635 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-1980.00; -1976.00] | kJ/mol |
|
| ΔcH°liquid | -1980.00 ± 8.00 | kJ/mol | NIST |
| ΔcH°liquid | -1976.00 | kJ/mol | NIST |
| ΔfG° | -353.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [38.00; 50.60] | kJ/mol |
|
| ΔvapH° | 50.60 | kJ/mol | NIST |
| ΔvapH° | 46.20 | kJ/mol | NIST |
| ΔvapH° | 50.60 ± 0.04 | kJ/mol | NIST |
| ΔvapH° | 50.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 38.00 | kJ/mol | NIST |
| IE | 10.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 99.140 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [869.00; 904.00] |
|
|
| Inp | 871.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | Outlier 904.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 882.40 | NIST | |
| I | [1384.00; 1423.00] |
|
|
| I | 1384.00 | NIST | |
| I | 1404.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1384.00 | NIST | |
| Tboil | 425.84 | K | Relay (1.0) Calculated Property |
| Tc | 622.03 | K | Relay (1.0) Calculated Property |
| Tfus | 234.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.49; 208.91] | J/mol×K | [423.76; 619.25] |
|
| Cp,gas | 170.49 | J/mol×K | 423.76 | Joback Calculated Property |
| Cp,gas | 177.68 | J/mol×K | 456.34 | Joback Calculated Property |
| Cp,gas | 184.56 | J/mol×K | 488.92 | Joback Calculated Property |
| Cp,gas | 191.12 | J/mol×K | 521.51 | Joback Calculated Property |
| Cp,gas | 197.36 | J/mol×K | 554.09 | Joback Calculated Property |
| Cp,gas | 203.29 | J/mol×K | 586.67 | Joback Calculated Property |
| Cp,gas | 208.91 | J/mol×K | 619.25 | Joback Calculated Property |
| Cp,liquid | 209.60 | J/mol×K | 298.00 | NIST |
| η | [0.0003249; 0.0073958] | Pa×s | [222.01; 423.76] |
|
| η | 0.0073958 | Pa×s | 222.01 | Joback Calculated Property |
| η | 0.0031190 | Pa×s | 255.63 | Joback Calculated Property |
| η | 0.0016078 | Pa×s | 289.26 | Joback Calculated Property |
| η | 0.0009514 | Pa×s | 322.88 | Joback Calculated Property |
| η | 0.0006216 | Pa×s | 356.51 | Joback Calculated Property |
| η | 0.0004370 | Pa×s | 390.13 | Joback Calculated Property |
| η | 0.0003249 | Pa×s | 423.76 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.21; 202.66] | kPa | [275.75; 538.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.25687e+01 | |||
| Coefficient B | -3.92264e+03 | |||
| Coefficient C | 1.80800e+00 | |||
| Temperature range, min. | 275.75 | |||
| Temperature range, max. | 538.71 | |||
| Pvap | 0.21 | kPa | 275.75 | Calculated Property |
| Pvap | 0.80 | kPa | 304.97 | Calculated Property |
| Pvap | 2.44 | kPa | 334.19 | Calculated Property |
| Pvap | 6.22 | kPa | 363.40 | Calculated Property |
| Pvap | 13.79 | kPa | 392.62 | Calculated Property |
| Pvap | 27.37 | kPa | 421.84 | Calculated Property |
| Pvap | 49.74 | kPa | 451.06 | Calculated Property |
| Pvap | 84.09 | kPa | 480.27 | Calculated Property |
| Pvap | 133.86 | kPa | 509.49 | Calculated Property |
| Pvap | 202.66 | kPa | 538.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, dichloro-, ethyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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