- InChI
- InChI=1S/C6H8Cl2O3/c1-3(9)4(7)5(8)6(10)11-2/h4-5H,1-2H3
- InChI Key
- GOJJJWQYCJZBOM-UHFFFAOYSA-N
- Formula
- C6H8Cl2O3
- SMILES
- COC(=O)C(Cl)C(Cl)C(C)=O
- Molecular Weight1
- 199.03
- ω : Acentric Factor.
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.4407 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -663.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.963 | Crippen Calculated Property | |
| McVol | 128.890 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | 1158.00 | NIST | |
| Tboil | 478.72 | K | Relay (1.0) Calculated Property |
| Tc | 701.49 | K | Relay (1.0) Calculated Property |
| Tfus | 334.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [259.60; 307.59] | J/mol×K | [522.95; 728.38] | 
|
| Cp,gas | 259.60 | J/mol×K | 522.95 | Joback Calculated Property |
| Cp,gas | 268.86 | J/mol×K | 557.19 | Joback Calculated Property |
| Cp,gas | 277.62 | J/mol×K | 591.43 | Joback Calculated Property |
| Cp,gas | 285.87 | J/mol×K | 625.67 | Joback Calculated Property |
| Cp,gas | 293.61 | J/mol×K | 659.91 | Joback Calculated Property |
| Cp,gas | 300.85 | J/mol×K | 694.15 | Joback Calculated Property |
| Cp,gas | 307.59 | J/mol×K | 728.38 | Joback Calculated Property |
| η | [0.0002674; 0.0066555] | Pa×s | [279.48; 522.95] |
|
| η | 0.0066555 | Pa×s | 279.48 | Joback Calculated Property |
| η | 0.0027735 | Pa×s | 320.06 | Joback Calculated Property |
| η | 0.0014074 | Pa×s | 360.64 | Joback Calculated Property |
| η | 0.0008192 | Pa×s | 401.22 | Joback Calculated Property |
| η | 0.0005267 | Pa×s | 441.79 | Joback Calculated Property |
| η | 0.0003647 | Pa×s | 482.37 | Joback Calculated Property |
| η | 0.0002674 | Pa×s | 522.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,3-dichloro-4-oxopentenoate.
Sources
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