- InChI
- InChI=1S/C6H10Cl2O2/c1-4(2)10-6(9)5(8)3-7/h4-5H,3H2,1-2H3
- InChI Key
- DQNKZNXCBULFCV-UHFFFAOYSA-N
- Formula
- C6H10Cl2O2
- SMILES
- CC(C)OC(=O)C(Cl)CCl
- Molecular Weight1
- 185.05
- CAS
- 54774-99-1
- Other Names
-
- Isopropyl 2,3-dichloropropionate
- Propionic acid, 2,3-dichloro-, isopropyl ester
- Isopropyl-alpha,beta-dichloro propionate
- Isopropyl 2,3-dichloropropanoate
- 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).
- 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° | -263.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.10 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.784 | Crippen Calculated Property | |
| McVol | 127.320 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Inp | [1032.00; 1032.00] |
|
|
| Inp | 1032.00 | NIST | |
| Inp | 1032.00 | NIST | |
| I | [1494.00; 1494.00] |
|
|
| I | 1494.00 | NIST | |
| I | 1494.00 | NIST | |
| Tboil | 486.95 | K | Joback Calculated Property |
| Tc | 685.84 | K | Joback Calculated Property |
| Tfus | 259.38 | K | Joback Calculated Property |
| Vc | 0.481 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.45; 301.92] | J/mol×K | [486.95; 685.84] |
|
| Cp,gas | 249.45 | J/mol×K | 486.95 | Joback Calculated Property |
| Cp,gas | 259.28 | J/mol×K | 520.10 | Joback Calculated Property |
| Cp,gas | 268.68 | J/mol×K | 553.25 | Joback Calculated Property |
| Cp,gas | 277.63 | J/mol×K | 586.39 | Joback Calculated Property |
| Cp,gas | 286.16 | J/mol×K | 619.54 | Joback Calculated Property |
| Cp,gas | 294.25 | J/mol×K | 652.69 | Joback Calculated Property |
| Cp,gas | 301.92 | J/mol×K | 685.84 | Joback Calculated Property |
| η | [0.0002759; 0.0055114] | Pa×s | [259.38; 486.95] |
|
| η | 0.0055114 | Pa×s | 259.38 | Joback Calculated Property |
| η | 0.0024337 | Pa×s | 297.31 | Joback Calculated Property |
| η | 0.0012930 | Pa×s | 335.24 | Joback Calculated Property |
| η | 0.0007812 | Pa×s | 373.16 | Joback Calculated Property |
| η | 0.0005180 | Pa×s | 411.09 | Joback Calculated Property |
| η | 0.0003681 | Pa×s | 449.02 | Joback Calculated Property |
| η | 0.0002759 | Pa×s | 486.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,3-dichloro-, 1-methylethyl ester.
Sources
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