- InChI
- InChI=1S/C13H14Cl2O5/c1-18-9-3-2-4-10(7-9)20-13(17)6-5-12(16)19-8-11(14)15/h2-4,7,11H,5-6,8H2,1H3
- InChI Key
- CRGPFGYURXKDME-UHFFFAOYSA-N
- Formula
- C13H14Cl2O5
- SMILES
-
COc1cccc(OC(=O)CCC(=O)OCC(Cl)C
l)c1 - Molecular Weight1
- 321.15
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.728 | Crippen Calculated Property | |
| McVol | 215.500 | ml/mol | McGowan Calculated Property |
| Inp | [2294.00; 2294.00] |
|
|
| Inp | 2294.00 | NIST | |
| Inp | 2294.00 | NIST | |
| Tboil | 625.57 | K | Relay (1.0) Calculated Property |
| Tfus | 330.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.13; 620.24] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 7.18830e+01 | |||
| Coefficient B | 9.47120e-01 | |||
| Coefficient C | -3.91360e-04 | |||
| Coefficient D | -7.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 301.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 357.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 408.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 455.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 495.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 531.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 561.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 586.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 606.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 620.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009742; 0.0000911] | Pa×s | [426.94; 668.58] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.34891e+01 | |||
| Coefficient B | 2.79867e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 426.94 | |||
| Temperature range, max. | 668.58 | |||
| η | 0.0009742 | Pa×s | 426.94 | Calculated Property |
| η | 0.0006610 | Pa×s | 453.79 | Calculated Property |
| η | 0.0004684 | Pa×s | 480.64 | Calculated Property |
| η | 0.0003442 | Pa×s | 507.49 | Calculated Property |
| η | 0.0002609 | Pa×s | 534.34 | Calculated Property |
| η | 0.0002031 | Pa×s | 561.19 | Calculated Property |
| η | 0.0001617 | Pa×s | 588.04 | Calculated Property |
| η | 0.0001314 | Pa×s | 614.88 | Calculated Property |
| η | 0.0001086 | Pa×s | 641.73 | Calculated Property |
| η | 0.0000911 | Pa×s | 668.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 3-methoxyphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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