- 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,liquid | 209.60 | J/mol×K | 298.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.17; 250.88] | 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 | 4.87610e+01 | |||
| Coefficient B | 3.48520e-01 | |||
| Coefficient C | -1.43200e-04 | |||
| Coefficient D | -3.20000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 172.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 189.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 204.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 218.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 238.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 250.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073958; 0.0003008] | Pa×s | [222.01; 433.48] |
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 | -1.14708e+01 | |||
| Coefficient B | 1.45726e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 222.01 | |||
| Temperature range, max. | 433.48 | |||
| η | 0.0073958 | Pa×s | 222.01 | Calculated Property |
| η | 0.0039460 | Pa×s | 245.51 | Calculated Property |
| η | 0.0023496 | Pa×s | 269.00 | Calculated Property |
| η | 0.0015206 | Pa×s | 292.50 | Calculated Property |
| η | 0.0010498 | Pa×s | 315.99 | Calculated Property |
| η | 0.0007630 | Pa×s | 339.49 | Calculated Property |
| η | 0.0005779 | Pa×s | 362.99 | Calculated Property |
| η | 0.0004527 | Pa×s | 386.48 | Calculated Property |
| η | 0.0003647 | Pa×s | 409.98 | Calculated Property |
| η | 0.0003008 | Pa×s | 433.48 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.21; 202.66] | kPa | [275.75; 538.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [0.13; 99.79] | kPa | [282.80; 429.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56649e+01 | |||
| Coefficient B | -4.34601e+03 | |||
| Coefficient C | -3.68200e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 282.80 | |||
| Temperature range, max. | 429.70 | |||
| Pvap | 0.13 | kPa | 282.80 | Calculated Property |
| Pvap | 0.41 | kPa | 299.12 | Calculated Property |
| Pvap | 1.07 | kPa | 315.44 | Calculated Property |
| Pvap | 2.53 | kPa | 331.77 | Calculated Property |
| Pvap | 5.49 | kPa | 348.09 | Calculated Property |
| Pvap | 11.01 | kPa | 364.41 | Calculated Property |
| Pvap | 20.66 | kPa | 380.73 | Calculated Property |
| Pvap | 36.62 | kPa | 397.06 | Calculated Property |
| Pvap | 61.78 | kPa | 413.38 | Calculated Property |
| Pvap | 99.79 | kPa | 429.70 | 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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