- InChI
- InChI=1S/C14H22Cl2O4/c1-3-5-6-7-11(4-2)20-14(18)9-8-13(17)19-10-12(15)16/h4,11-12H,2-3,5-10H2,1H3
- InChI Key
- KEWRQIXJKHWSRH-UHFFFAOYSA-N
- Formula
- C14H22Cl2O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCC(=O)OCC(Cl
)Cl - Molecular Weight1
- 325.23
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 40.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 243.180 | ml/mol | McGowan Calculated Property |
| Inp | [2005.00; 2005.00] |
|
|
| Inp | 2005.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Tboil | 594.96 | K | Relay (1.0) Calculated Property |
| Tc | 765.20 | K | Relay (1.0) Calculated Property |
| Tfus | 269.26 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [351.52; 746.93] | 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 | 6.04070e+01 | |||
| Coefficient B | 1.22962e+00 | |||
| Coefficient C | -6.18700e-04 | |||
| Coefficient D | 7.56000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 351.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 484.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 540.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 589.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 632.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 669.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 701.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 726.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 746.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029313; 0.0001133] | Pa×s | [360.28; 626.00] |
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 | -1.34965e+01 | |||
| Coefficient B | 2.76124e+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. | 360.28 | |||
| Temperature range, max. | 626.00 | |||
| η | 0.0029313 | Pa×s | 360.28 | Calculated Property |
| η | 0.0016404 | Pa×s | 389.80 | Calculated Property |
| η | 0.0009962 | Pa×s | 419.33 | Calculated Property |
| η | 0.0006460 | Pa×s | 448.85 | Calculated Property |
| η | 0.0004419 | Pa×s | 478.38 | Calculated Property |
| η | 0.0003160 | Pa×s | 507.90 | Calculated Property |
| η | 0.0002344 | Pa×s | 537.43 | Calculated Property |
| η | 0.0001794 | Pa×s | 566.95 | Calculated Property |
| η | 0.0001409 | Pa×s | 596.48 | Calculated Property |
| η | 0.0001133 | Pa×s | 626.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl oct-1-en-3-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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