- InChI
- InChI=1S/C5H8Cl2O2/c1-3(6)4(7)5(8)9-2/h3-4H,1-2H3
- InChI Key
- KJZMAXQPXRBYDC-UHFFFAOYSA-N
- Formula
- C5H8Cl2O2
- SMILES
- COC(=O)C(Cl)C(C)Cl
- Molecular Weight1
- 171.02
- CAS
- 54460-97-8
- Other Names
-
- Butyric acid, 2,3-dichloro-, methyl ester
- Methyl threo-2,3-dichlorobutanoate
- 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° | -271.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.87 | kJ/mol | Joback Calculated Property |
| log10WS | -1.31 | Crippen Calculated Property | |
| logPoct/wat | 1.394 | Crippen Calculated Property | |
| McVol | 113.230 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Tboil | 464.07 | K | Joback Calculated Property |
| Tc | 665.53 | K | Joback Calculated Property |
| Tfus | 248.11 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.76; 255.55] | J/mol×K | [464.07; 665.53] | 
|
| Cp,gas | 209.76 | J/mol×K | 464.07 | Joback Calculated Property |
| Cp,gas | 218.31 | J/mol×K | 497.65 | Joback Calculated Property |
| Cp,gas | 226.49 | J/mol×K | 531.22 | Joback Calculated Property |
| Cp,gas | 234.31 | J/mol×K | 564.80 | Joback Calculated Property |
| Cp,gas | 241.76 | J/mol×K | 598.37 | Joback Calculated Property |
| Cp,gas | 248.84 | J/mol×K | 631.95 | Joback Calculated Property |
| Cp,gas | 255.55 | J/mol×K | 665.53 | Joback Calculated Property |
| η | [0.0003006; 0.0056889] | Pa×s | [248.11; 464.07] |
|
| η | 0.0056889 | Pa×s | 248.11 | Joback Calculated Property |
| η | 0.0025548 | Pa×s | 284.10 | Joback Calculated Property |
| η | 0.0013736 | Pa×s | 320.10 | Joback Calculated Property |
| η | 0.0008373 | Pa×s | 356.09 | Joback Calculated Property |
| η | 0.0005589 | Pa×s | 392.08 | Joback Calculated Property |
| η | 0.0003993 | Pa×s | 428.08 | Joback Calculated Property |
| η | 0.0003006 | Pa×s | 464.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,3-dichloro-, methyl ester.
Sources
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