- InChI
- InChI=1S/C4H6Cl2O2/c5-1-2-8-4(7)3-6/h1-3H2
- InChI Key
- XPUCYTFPMSEFIN-UHFFFAOYSA-N
- Formula
- C4H6Cl2O2
- SMILES
- O=C(CCl)OCCCl
- Molecular Weight1
- 157.00
- CAS
- 3848-12-2
- Other Names
-
- Ethanol, 2-chloro, chloroacetate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -274.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.42 | kJ/mol | Joback Calculated Property |
| log10WS | -0.67 | Crippen Calculated Property | |
| logPoct/wat | 1.007 | Crippen Calculated Property | |
| McVol | 99.140 | ml/mol | McGowan Calculated Property |
| Pc | 3763.78 | kPa | Joback Calculated Property |
| Inp | [990.00; 1016.00] |
|
|
| Inp | 1002.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1016.00 | NIST | |
| I | [1755.00; 1803.00] |
|
|
| I | 1759.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1789.00 | NIST | |
| I | 1787.00 | NIST | |
| I | 1792.00 | NIST | |
| I | 1803.00 | NIST | |
| Tboil | 442.07 | K | Joback Calculated Property |
| Tc | 636.71 | K | Joback Calculated Property |
| Tfus | 266.84 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.94; 207.89] | J/mol×K | [442.07; 636.71] |
|
| Cp,gas | 171.94 | J/mol×K | 442.07 | Joback Calculated Property |
| Cp,gas | 178.56 | J/mol×K | 474.51 | Joback Calculated Property |
| Cp,gas | 184.93 | J/mol×K | 506.95 | Joback Calculated Property |
| Cp,gas | 191.05 | J/mol×K | 539.39 | Joback Calculated Property |
| Cp,gas | 196.92 | J/mol×K | 571.83 | Joback Calculated Property |
| Cp,gas | 202.53 | J/mol×K | 604.27 | Joback Calculated Property |
| Cp,gas | 207.89 | J/mol×K | 636.71 | Joback Calculated Property |
| η | [0.0003546; 0.0028294] | Pa×s | [266.84; 442.07] |
|
| η | 0.0028294 | Pa×s | 266.84 | Joback Calculated Property |
| η | 0.0016875 | Pa×s | 296.05 | Joback Calculated Property |
| η | 0.0011043 | Pa×s | 325.25 | Joback Calculated Property |
| η | 0.0007750 | Pa×s | 354.46 | Joback Calculated Property |
| η | 0.0005740 | Pa×s | 383.66 | Joback Calculated Property |
| η | 0.0004436 | Pa×s | 412.87 | Joback Calculated Property |
| η | 0.0003546 | Pa×s | 442.07 | Joback Calculated Property |
| ΔvapH | 53.30 | kJ/mol | 398.50 | NIST |
Similar Compounds
Find more compounds similar to 2-chloroethyl chloroacetate.
Sources
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