- InChI
- InChI=1S/C6H10Cl2O2/c1-4(2)10-5(9)6(3,7)8/h4H,1-3H3
- InChI Key
- QVZCJUSIWAGBDX-UHFFFAOYSA-N
- Formula
- C6H10Cl2O2
- SMILES
- CC(C)OC(=O)C(C)(Cl)Cl
- Molecular Weight1
- 185.05
- CAS
- 54587-48-3
- Other Names
-
- Isopropyl «alpha»,«alpha»-dichloropropionate
- Isopropyl, alpha,alpha-dichloropropionate
- Isopropyl, a,a-dichloropropionate
- 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).
- 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° | -257.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.22 | Crippen Calculated Property | |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 127.320 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Tboil | 484.16 | K | Joback Calculated Property |
| Tc | 691.34 | K | Joback Calculated Property |
| Tfus | 276.80 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.57; 306.61] | J/mol×K | [484.16; 691.34] | 
|
| Cp,gas | 252.57 | J/mol×K | 484.16 | Joback Calculated Property |
| Cp,gas | 263.03 | J/mol×K | 518.69 | Joback Calculated Property |
| Cp,gas | 272.88 | J/mol×K | 553.22 | Joback Calculated Property |
| Cp,gas | 282.14 | J/mol×K | 587.75 | Joback Calculated Property |
| Cp,gas | 290.84 | J/mol×K | 622.28 | Joback Calculated Property |
| Cp,gas | 298.99 | J/mol×K | 656.81 | Joback Calculated Property |
| Cp,gas | 306.61 | J/mol×K | 691.34 | Joback Calculated Property |
| η | [0.0002867; 0.0051343] | Pa×s | [276.80; 484.16] |
|
| η | 0.0051343 | Pa×s | 276.80 | Joback Calculated Property |
| η | 0.0024308 | Pa×s | 311.36 | Joback Calculated Property |
| η | 0.0013363 | Pa×s | 345.92 | Joback Calculated Property |
| η | 0.0008189 | Pa×s | 380.48 | Joback Calculated Property |
| η | 0.0005445 | Pa×s | 415.04 | Joback Calculated Property |
| η | 0.0003855 | Pa×s | 449.60 | Joback Calculated Property |
| η | 0.0002867 | Pa×s | 484.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dichloro-, 1-methylethyl ester.
Sources
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