- InChI
- InChI=1S/C13H13Cl3O3/c1-3-13(4-2,11(16)17)12(18)19-10-6-8(14)5-9(15)7-10/h5-7H,3-4H2,1-2H3
- InChI Key
- GVXSQRORPHIMKV-UHFFFAOYSA-N
- Formula
- C13H13Cl3O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1cc(Cl)
cc(Cl)c1 - Molecular Weight1
- 323.60
- 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.
- 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° | -244.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.471 | Crippen Calculated Property | |
| McVol | 216.000 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [1933.00; 1933.00] |
|
|
| Inp | 1933.00 | NIST | |
| Inp | 1933.00 | NIST | |
| Tboil | 772.70 | K | Joback Calculated Property |
| Tc | 1004.44 | K | Joback Calculated Property |
| Tfus | 502.00 | K | Joback Calculated Property |
| Vc | 0.822 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.26; 588.99] | J/mol×K | [772.70; 1004.44] |
|
| Cp,gas | 535.26 | J/mol×K | 772.70 | Joback Calculated Property |
| Cp,gas | 546.37 | J/mol×K | 811.32 | Joback Calculated Property |
| Cp,gas | 556.55 | J/mol×K | 849.95 | Joback Calculated Property |
| Cp,gas | 565.85 | J/mol×K | 888.57 | Joback Calculated Property |
| Cp,gas | 574.33 | J/mol×K | 927.20 | Joback Calculated Property |
| Cp,gas | 582.02 | J/mol×K | 965.82 | Joback Calculated Property |
| Cp,gas | 588.99 | J/mol×K | 1004.44 | Joback Calculated Property |
| η | [0.0001029; 0.0007441] | Pa×s | [502.00; 772.70] |
|
| η | 0.0007441 | Pa×s | 502.00 | Joback Calculated Property |
| η | 0.0004671 | Pa×s | 547.12 | Joback Calculated Property |
| η | 0.0003148 | Pa×s | 592.23 | Joback Calculated Property |
| η | 0.0002243 | Pa×s | 637.35 | Joback Calculated Property |
| η | 0.0001672 | Pa×s | 682.47 | Joback Calculated Property |
| η | 0.0001292 | Pa×s | 727.58 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 772.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 3,5-dichlorophenyl ester.
Sources
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