- InChI
- InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
- InChI Key
- VEUUMBGHMNQHGO-UHFFFAOYSA-N
- Formula
- C4H7ClO2
- SMILES
- CCOC(=O)CCl
- Molecular Weight1
- 122.55
- CAS
- 105-39-5
- Other Names
-
- 2-Chloroacetic acid ethyl ester
- Acetic acid, 2-chloro-, ethyl ester
- Chloroacetic acid ethyl ester
- Ethyl chloracetate
- Ethyl chloroacetate
- Ethyl chloroethanoate
- Ethyl ester of chloroacetic acid
- Ethyl monochloracetate
- Ethyl monochloroacetate
- Ethyl «alpha»-chloroacetate
- Ethyl «alpha»-chloroacetate
- Ethylester kyseliny chloroctove
- NSC 8833
- UN 1181
- chloroacetic acid, ethyl ester
- ethanoic acid, chloro-, ethyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- csound,fluid : Speed of sound in fluid (m/s).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -2052.00 | kJ/mol | NIST |
| ΔfG° | -263.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [49.47; 49.50] | kJ/mol |
|
| ΔvapH° | 49.48 | kJ/mol | NIST |
| ΔvapH° | 49.47 ± 0.08 | kJ/mol | NIST |
| ΔvapH° | 49.50 ± 0.10 | kJ/mol | NIST |
| log10WS | -0.51 | Crippen Calculated Property | |
| logPoct/wat | 0.788 | Crippen Calculated Property | |
| McVol | 86.900 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| Inp | [774.00; 839.00] |
|
|
| Inp | 791.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 806.40 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 806.40 | NIST | |
| Inp | 839.00 | NIST | |
| I | [1292.00; 1380.00] |
|
|
| I | 1302.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1355.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1380.00 | NIST | |
| Tboil | 404.64 | K | Joback Calculated Property |
| Tc | 592.13 | K | Joback Calculated Property |
| Tfus | 236.92 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.10; 188.84] | J/mol×K | [404.64; 592.13] |
|
| Cp,gas | 151.10 | J/mol×K | 404.64 | Joback Calculated Property |
| Cp,gas | 157.93 | J/mol×K | 435.89 | Joback Calculated Property |
| Cp,gas | 164.55 | J/mol×K | 467.14 | Joback Calculated Property |
| Cp,gas | 170.96 | J/mol×K | 498.39 | Joback Calculated Property |
| Cp,gas | 177.14 | J/mol×K | 529.63 | Joback Calculated Property |
| Cp,gas | 183.10 | J/mol×K | 560.88 | Joback Calculated Property |
| Cp,gas | 188.84 | J/mol×K | 592.13 | Joback Calculated Property |
| η | [0.0008341; 0.0009692] | Pa×s | [303.15; 313.15] |
|
| η | 0.0009692 | Pa×s | 303.15 | Volumet... |
| η | 0.0008979 | Pa×s | 308.15 | Volumet... |
| η | 0.0008341 | Pa×s | 313.15 | Volumet... |
| ΔvapH | [40.43; 48.50] | kJ/mol | [346.00; 417.40] |
|
| ΔvapH | 45.00 | kJ/mol | 346.00 | NIST |
| ΔvapH | 48.50 | kJ/mol | 358.00 | NIST |
| ΔvapH | 40.43 | kJ/mol | 417.40 | NIST |
| n0 | [1.41480; 1.42000] | [298.15; 308.15] |
|
|
| n0 | 1.42000 | 298.15 | Density... | |
| n0 | 1.41730 | 303.15 | Density... | |
| n0 | 1.41480 | 308.15 | Density... | |
| ρl | [1118.74; 1144.11] | kg/m3 | [298.15; 318.15] |
|
| ρl | 1144.11 | kg/m3 | 298.15 | Excess ... |
| ρl | 1131.46 | kg/m3 | 308.15 | Excess ... |
| ρl | 1118.74 | kg/m3 | 318.15 | Excess ... |
| csound,fluid | [1177.00; 1229.00] | m/s | [303.15; 318.15] |
|
| csound,fluid | 1229.00 | m/s | 303.15 | Density... |
| csound,fluid | 1212.00 | m/s | 308.15 | Density... |
| csound,fluid | 1198.00 | m/s | 313.15 | Density... |
| csound,fluid | 1177.00 | m/s | 318.15 | Density... |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Viscosity, Pa*s - Liquid |
| 303.15 | 101.30 | 0.0013 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [309.14; 443.80] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48407e+01 | |||
| Coefficient B | -3.71707e+03 | |||
| Coefficient C | -5.37270e+01 | |||
| Temperature range, min. | 309.14 | |||
| Temperature range, max. | 443.80 | |||
| Pvap | 1.33 | kPa | 309.14 | Calculated Property |
| Pvap | 2.98 | kPa | 324.10 | Calculated Property |
| Pvap | 6.13 | kPa | 339.06 | Calculated Property |
| Pvap | 11.74 | kPa | 354.03 | Calculated Property |
| Pvap | 21.12 | kPa | 368.99 | Calculated Property |
| Pvap | 36.03 | kPa | 383.95 | Calculated Property |
| Pvap | 58.69 | kPa | 398.91 | Calculated Property |
| Pvap | 91.81 | kPa | 413.88 | Calculated Property |
| Pvap | 138.57 | kPa | 428.84 | Calculated Property |
| Pvap | 202.65 | kPa | 443.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, chloro-, ethyl ester.
Mixtures
- Acetic acid, chloro-, ethyl ester + Carbon Tetrachloride
- Acetic acid, chloro-, ethyl ester + Trichloromethane
- Acetic acid, chloro-, ethyl ester + 3-Pentanone
- Acetic acid, chloro-, ethyl ester + Cyclohexanone
- Acetic acid, chloro-, ethyl ester + Benzene, chloro-
- Acetic acid, chloro-, ethyl ester + Benzene, bromo-
- Acetic acid, chloro-, ethyl ester + Benzyl alcohol
- Acetic acid, chloro-, ethyl ester + Acetamide, N-methyl-
- Acetic acid, chloro-, ethyl ester + Benzyl nitrile
Sources
- Crippen Method
- Crippen Method
- Speeds of sound, isentropic compressibilities, viscosities, and excess molar volumes of binary mixtures of alkanoates with tetra- and trichloromethanes at 303.15 K
- Excess molar volumes, viscosity deviations and excess thermal expansion coefficients for binary and ternary mixtures consist of diethylketone + 2-butanol + ethylchloroacetate at (298.15, 308.15 and 318.15) K
- Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Ethyl Chloroacetate + Cyclohexanone, + Chlorobenzene, + Bromobenzene, or + Benzyl Alcohol at (298.15, 303.15, and 308.15) K
- Density and Speed of Sound of Binary Mixtures of N-Methylacetamide with Ethyl Acetate, Ethyl Chloroacetate, and Ethyl Cyanoacetate in the Temperature Interval (303.15 to 318.15) K
- Volumetric and Transport Properties of Binary Liquid Mixtures of Phenylacetonitrile with Aliphatic Esters at Temperatures of (303.15 to 313.15) K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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