- InChI
- InChI=1S/C15H22Cl2O4/c1-3-5-6-7-8-12(4-2)21-15(19)10-9-14(18)20-11-13(16)17/h12-13H,3-5,8-11H2,1-2H3
- InChI Key
- NSKMRDPOEKYEBA-UHFFFAOYSA-N
- Formula
- C15H22Cl2O4
- SMILES
-
CCCC#CCC(CC)OC(=O)CCC(=O)OCC(C
l)Cl - Molecular Weight1
- 337.24
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 47.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.37 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.629 | Crippen Calculated Property | |
| McVol | 252.970 | ml/mol | McGowan Calculated Property |
| Inp | [2131.00; 2131.00] |
|
|
| Inp | 2131.00 | NIST | |
| Inp | 2131.00 | NIST | |
| Tboil | 588.59 | K | Relay (1.0) Calculated Property |
| Tc | 789.89 | K | Relay (1.0) Calculated Property |
| Tfus | 279.99 | 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 | [365.65; 765.91] | 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 | 8.00470e+01 | |||
| Coefficient B | 1.19484e+00 | |||
| Coefficient C | -5.58060e-04 | |||
| Coefficient D | 4.90800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 435.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 497.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 554.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 604.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 648.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 686.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 718.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 744.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 765.91 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl non-5-yn-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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