- InChI
- InChI=1S/C6H7ClO4/c1-10-5(8)3-4(7)6(9)11-2/h3H,1-2H3/b4-3-
- InChI Key
- VYXGXXYXSAMWBM-ARJAWSKDSA-N
- Formula
- C6H7ClO4
- SMILES
- COC(=O)C=C(Cl)C(=O)OC
- Molecular Weight1
- 178.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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° | -408.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.69 | kJ/mol | Joback Calculated Property |
| log10WS | -0.56 | Crippen Calculated Property | |
| logPoct/wat | 0.455 | Crippen Calculated Property | |
| McVol | 118.220 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Inp | [1068.00; 1094.00] |
|
|
| Inp | 1068.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Tboil | 530.73 | K | Joback Calculated Property |
| Tc | 736.15 | K | Joback Calculated Property |
| Tfus | 312.58 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.54; 285.16] | J/mol×K | [530.73; 736.15] |
|
| Cp,gas | 240.54 | J/mol×K | 530.73 | Joback Calculated Property |
| Cp,gas | 248.95 | J/mol×K | 564.97 | Joback Calculated Property |
| Cp,gas | 256.98 | J/mol×K | 599.20 | Joback Calculated Property |
| Cp,gas | 264.61 | J/mol×K | 633.44 | Joback Calculated Property |
| Cp,gas | 271.86 | J/mol×K | 667.68 | Joback Calculated Property |
| Cp,gas | 278.70 | J/mol×K | 701.91 | Joback Calculated Property |
| Cp,gas | 285.16 | J/mol×K | 736.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl chlorobutenedioate.
Sources
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