- InChI
- InChI=1S/C11H16Cl2O5/c12-9(13)7-18-11(15)4-3-10(14)17-6-8-2-1-5-16-8/h8-9H,1-7H2
- InChI Key
- OGHLWWUVYCQWQU-UHFFFAOYSA-N
- Formula
- C11H16Cl2O5
- SMILES
- O=C(CCC(=O)OCC1CCCO1)OCC(Cl)Cl
- Molecular Weight1
- 299.15
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -995.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.09 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.836 | Crippen Calculated Property | |
| McVol | 200.220 | ml/mol | McGowan Calculated Property |
| Inp | [2014.00; 2014.00] |
|
|
| Inp | 2014.00 | NIST | |
| Inp | 2014.00 | NIST | |
| Tboil | 603.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [282.14; 622.94] | 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 | 2.46440e+01 | |||
| Coefficient B | 1.08740e+00 | |||
| Coefficient C | -5.42900e-04 | |||
| Coefficient D | 5.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 282.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 343.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 399.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 448.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 491.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 528.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 560.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 586.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 607.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 622.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029638; 0.0001978] | Pa×s | [380.70; 623.91] |
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 | -1.27661e+01 | |||
| Coefficient B | 2.64387e+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. | 380.70 | |||
| Temperature range, max. | 623.91 | |||
| η | 0.0029638 | Pa×s | 380.70 | Calculated Property |
| η | 0.0018704 | Pa×s | 407.72 | Calculated Property |
| η | 0.0012499 | Pa×s | 434.75 | Calculated Property |
| η | 0.0008756 | Pa×s | 461.77 | Calculated Property |
| η | 0.0006381 | Pa×s | 488.79 | Calculated Property |
| η | 0.0004806 | Pa×s | 515.82 | Calculated Property |
| η | 0.0003724 | Pa×s | 542.84 | Calculated Property |
| η | 0.0002956 | Pa×s | 569.86 | Calculated Property |
| η | 0.0002396 | Pa×s | 596.89 | Calculated Property |
| η | 0.0001978 | Pa×s | 623.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl tetrahydrofurfuryl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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