- InChI
- InChI=1S/C12H18Cl2O4/c1-2-3-4-5-8-17-11(15)6-7-12(16)18-9-10(13)14/h2,10H,1,3-9H2
- InChI Key
- XTVYLAJSHRJWKH-UHFFFAOYSA-N
- Formula
- C12H18Cl2O4
- SMILES
- C=CCCCCOC(=O)CCC(=O)OCC(Cl)Cl
- Molecular Weight1
- 297.18
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -846.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.98 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.013 | Crippen Calculated Property | |
| McVol | 215.000 | ml/mol | McGowan Calculated Property |
| Inp | [1895.00; 1895.00] |
|
|
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Tboil | 591.46 | K | Relay (1.0) Calculated Property |
| Tfus | 276.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [309.41; 643.21] | 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 | 6.39070e+01 | |||
| Coefficient B | 1.03370e+00 | |||
| Coefficient C | -5.06700e-04 | |||
| Coefficient D | 5.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 309.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 368.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 421.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 469.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 511.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 547.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 578.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 605.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 626.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 643.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028291; 0.0001527] | Pa×s | [352.74; 593.99] |
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 | -1.30547e+01 | |||
| Coefficient B | 2.53510e+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. | 352.74 | |||
| Temperature range, max. | 593.99 | |||
| η | 0.0028291 | Pa×s | 352.74 | Calculated Property |
| η | 0.0017030 | Pa×s | 379.55 | Calculated Property |
| η | 0.0010961 | Pa×s | 406.35 | Calculated Property |
| η | 0.0007450 | Pa×s | 433.16 | Calculated Property |
| η | 0.0005297 | Pa×s | 459.96 | Calculated Property |
| η | 0.0003911 | Pa×s | 486.77 | Calculated Property |
| η | 0.0002980 | Pa×s | 513.58 | Calculated Property |
| η | 0.0002333 | Pa×s | 540.38 | Calculated Property |
| η | 0.0001869 | Pa×s | 567.19 | Calculated Property |
| η | 0.0001527 | Pa×s | 593.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl hex-5-en-1-yl 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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