- InChI
- InChI=1S/C7H10Cl2O4/c1-5(13-7(11)3-9)4-12-6(10)2-8/h5H,2-4H2,1H3
- InChI Key
- RVKVLMMCZLSUGU-UHFFFAOYSA-N
- Formula
- C7H10Cl2O4
- SMILES
- CC(COC(=O)CCl)OC(=O)CCl
- Molecular Weight1
- 229.06
- CAS
- 42831-64-1
- Other Names
-
- 1,2-Bis(chloroacetoxy)propane
- Chloroacetic acid, 1,2-propanediol diester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -860.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.939 | Crippen Calculated Property | |
| McVol | 148.850 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Tboil | 518.31 | K | Relay (1.0) Calculated Property |
| Tc | 720.82 | K | Relay (1.0) Calculated Property |
| Tfus | 282.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.78; 374.78] | J/mol×K | [550.62; 744.62] | 
|
| Cp,gas | 321.78 | J/mol×K | 550.62 | Joback Calculated Property |
| Cp,gas | 331.96 | J/mol×K | 582.95 | Joback Calculated Property |
| Cp,gas | 341.61 | J/mol×K | 615.29 | Joback Calculated Property |
| Cp,gas | 350.72 | J/mol×K | 647.62 | Joback Calculated Property |
| Cp,gas | 359.29 | J/mol×K | 679.95 | Joback Calculated Property |
| Cp,gas | 367.31 | J/mol×K | 712.28 | Joback Calculated Property |
| Cp,gas | 374.78 | J/mol×K | 744.62 | Joback Calculated Property |
| η | [0.0001860; 0.0049184] | Pa×s | [298.15; 550.62] |
|
| η | 0.0049184 | Pa×s | 298.15 | Joback Calculated Property |
| η | 0.0020333 | Pa×s | 340.23 | Joback Calculated Property |
| η | 0.0010210 | Pa×s | 382.31 | Joback Calculated Property |
| η | 0.0005877 | Pa×s | 424.38 | Joback Calculated Property |
| η | 0.0003738 | Pa×s | 466.46 | Joback Calculated Property |
| η | 0.0002562 | Pa×s | 508.54 | Joback Calculated Property |
| η | 0.0001860 | Pa×s | 550.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, chloro-, 1-methyl-1,2-ethanediyl ester.
Sources
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