- InChI
- InChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h9-10,12H,2-8,11H2,1H3/b10-9+
- InChI Key
- CWGSMVDQCFKHOS-MDZDMXLPSA-N
- Formula
- C13H22Cl2O2
- SMILES
- CCCCCCCCC=CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 281.22
- 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).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -585.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.640 | Crippen Calculated Property | |
| McVol | 221.650 | ml/mol | McGowan Calculated Property |
| Inp | [1775.00; 1775.00] |
|
|
| Inp | 1775.00 | NIST | |
| Inp | 1775.00 | NIST | |
| Tboil | 550.85 | K | Relay (1.0) Calculated Property |
| Tc | 756.15 | K | Relay (1.0) Calculated Property |
| Tfus | 253.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, 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 | [310.09; 684.62] | 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 | 2.63980e+01 | |||
| Coefficient B | 1.22352e+00 | |||
| Coefficient C | -7.16600e-04 | |||
| Coefficient D | 1.51300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 310.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 376.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 435.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 487.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 533.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 573.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 607.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 637.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 663.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 684.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036971; 0.0001532] | Pa×s | [318.36; 572.94] |
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 | -1.27649e+01 | |||
| Coefficient B | 2.28094e+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. | 318.36 | |||
| Temperature range, max. | 572.94 | |||
| η | 0.0036971 | Pa×s | 318.36 | Calculated Property |
| η | 0.0020605 | Pa×s | 346.65 | Calculated Property |
| η | 0.0012542 | Pa×s | 374.93 | Calculated Property |
| η | 0.0008185 | Pa×s | 403.22 | Calculated Property |
| η | 0.0005649 | Pa×s | 431.50 | Calculated Property |
| η | 0.0004081 | Pa×s | 459.79 | Calculated Property |
| η | 0.0003061 | Pa×s | 488.08 | Calculated Property |
| η | 0.0002370 | Pa×s | 516.36 | Calculated Property |
| η | 0.0001884 | Pa×s | 544.65 | Calculated Property |
| η | 0.0001532 | Pa×s | 572.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, undec-2-enyl 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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