- 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° | 37.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.81 | 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 | 753.27 | K | Relay (1.0) Calculated Property |
| Tfus | 255.04 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.07; 635.36] | J/mol×K | [651.71; 838.62] |
|
| Cp,gas | 558.07 | J/mol×K | 651.71 | Joback Calculated Property |
| Cp,gas | 572.73 | J/mol×K | 682.86 | Joback Calculated Property |
| Cp,gas | 586.65 | J/mol×K | 714.01 | Joback Calculated Property |
| Cp,gas | 599.84 | J/mol×K | 745.16 | Joback Calculated Property |
| Cp,gas | 612.34 | J/mol×K | 776.31 | Joback Calculated Property |
| Cp,gas | 624.17 | J/mol×K | 807.47 | Joback Calculated Property |
| Cp,gas | 635.36 | J/mol×K | 838.62 | Joback Calculated Property |
| η | [0.0001153; 0.0023683] | Pa×s | [348.19; 651.71] |
|
| η | 0.0023683 | Pa×s | 348.19 | Joback Calculated Property |
| η | 0.0010398 | Pa×s | 398.78 | Joback Calculated Property |
| η | 0.0005494 | Pa×s | 449.36 | Joback Calculated Property |
| η | 0.0003303 | Pa×s | 499.95 | Joback Calculated Property |
| η | 0.0002181 | Pa×s | 550.54 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 601.12 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 651.71 | Joback 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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