- InChI
- InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3
- InChI Key
- VIRWKAJWTKAIMA-UHFFFAOYSA-N
- Formula
- C4H7ClO2
- SMILES
- CC(=O)OCCCl
- Molecular Weight1
- 122.55
- CAS
- 542-58-5
- Other Names
-
- «beta»-Chloroethyl acetate
- 1-Acetoxy-2-chloroethane
- 2-Acetoxy-1-chloroethane
- 2-Acetoxyethyl chloride
- 2-Chloroethyl acetate
- CH3C(O)OCH2CH2Cl
- Acetic acid «beta»-chloroethyl ester
- 2-Chloroethyl ethanoate
- Acetoxyethyl chloride
- 2-Chlorethylacetat
- 2-Chloroethanol acetate
- 2-Chloroethyl ester of acetic acid
- Ethanol, 2-chloro-, 1-acetate
- NSC 77374
- Acetic acid, 2-chloroethyl ester
- Chloroethyl acetate
- 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 | 0.4061 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.50 ± 0.20 | kJ/mol | NIST |
| IE | 10.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.788 | Crippen Calculated Property | |
| McVol | 86.900 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | [796.00; 846.00] |
|
|
| Inp | 796.00 | NIST | |
| Inp | 801.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 801.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 837.40 | NIST | |
| Inp | 837.40 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 816.00 | NIST | |
| I | [1297.00; 1365.00] |
|
|
| I | 1297.00 | NIST | |
| I | 1299.00 | NIST | |
| I | 1354.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1319.00 | NIST | |
| I | 1313.00 | NIST | |
| I | Outlier 1365.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1341.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1341.00 | NIST | |
| Tboil | [418.00; 418.20] | K |
|
| Tboil | 418.20 | K | NIST |
| Tboil | 418.00 | K | NIST |
| Tc | 602.78 | K | Relay (1.0) Calculated Property |
| Tfus | 212.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.87; 187.96] | J/mol×K | [386.77; 570.10] |
|
| Cp,gas | 148.87 | J/mol×K | 386.77 | Joback Calculated Property |
| Cp,gas | 156.02 | J/mol×K | 417.33 | Joback Calculated Property |
| Cp,gas | 162.92 | J/mol×K | 447.88 | Joback Calculated Property |
| Cp,gas | 169.56 | J/mol×K | 478.44 | Joback Calculated Property |
| Cp,gas | 175.95 | J/mol×K | 508.99 | Joback Calculated Property |
| Cp,gas | 182.09 | J/mol×K | 539.55 | Joback Calculated Property |
| Cp,gas | 187.96 | J/mol×K | 570.10 | Joback Calculated Property |
| η | [0.0003148; 0.0051770] | Pa×s | [207.09; 386.77] |
|
| η | 0.0051770 | Pa×s | 207.09 | Joback Calculated Property |
| η | 0.0024177 | Pa×s | 237.04 | Joback Calculated Property |
| η | 0.0013393 | Pa×s | 266.98 | Joback Calculated Property |
| η | 0.0008359 | Pa×s | 296.93 | Joback Calculated Property |
| η | 0.0005687 | Pa×s | 326.88 | Joback Calculated Property |
| η | 0.0004128 | Pa×s | 356.82 | Joback Calculated Property |
| η | 0.0003148 | Pa×s | 386.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-chloro-, acetate.
Sources
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