- InChI
- InChI=1S/C13H23Cl3O2/c1-2-3-4-5-6-7-8-9-10-12(17)18-11-13(14,15)16/h2-11H2,1H3
- InChI Key
- ZBXABUUOULPNKG-UHFFFAOYSA-N
- Formula
- C13H23Cl3O2
- SMILES
- CCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 317.68
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7323 | Relay (... Calculated Property | |
| ΔfG° | -208.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.22 | kJ/mol | Relay (... Calculated Property |
| IE | 10.23 | eV | Relay (... Calculated Property |
| log10WS | -6.17 | Relay (... Calculated Property | |
| logPoct/wat | 5.431 | Crippen Calculated Property | |
| McVol | 238.190 | ml/mol | McGowan Calculated Property |
| Pc | 1584.75 | kPa | Joback Calculated Property |
| Inp | [1875.00; 1877.00] |
|
|
| Inp | 1875.00 | NIST | |
| Inp | 1877.00 | NIST | |
| Inp | 1877.00 | NIST | |
| Inp | 1876.00 | NIST | |
| Inp | 1875.00 | NIST | |
| Inp | 1875.00 | NIST | |
| I | [2224.00; 2281.00] |
|
|
| I | 2224.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2240.00 | NIST | |
| I | 2260.00 | NIST | |
| I | 2264.00 | NIST | |
| I | 2281.00 | NIST | |
| I | 2244.00 | NIST | |
| Tboil | 570.49 | K | Relay (... Calculated Property |
| Tc | 764.27 | K | Relay (... Calculated Property |
| Tfus | 304.53 | K | Relay (... Calculated Property |
| Vc | 0.888 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.33; 686.64] | J/mol×K | [682.19; 872.30] |
|
| Cp,gas | 611.33 | J/mol×K | 682.19 | Joback Calculated Property |
| Cp,gas | 625.80 | J/mol×K | 713.87 | Joback Calculated Property |
| Cp,gas | 639.46 | J/mol×K | 745.56 | Joback Calculated Property |
| Cp,gas | 652.33 | J/mol×K | 777.24 | Joback Calculated Property |
| Cp,gas | 664.47 | J/mol×K | 808.93 | Joback Calculated Property |
| Cp,gas | 675.89 | J/mol×K | 840.61 | Joback Calculated Property |
| Cp,gas | 686.64 | J/mol×K | 872.30 | Joback Calculated Property |
| η | [0.0001088; 0.0016819] | Pa×s | [400.61; 682.19] |
|
| η | 0.0016819 | Pa×s | 400.61 | Joback Calculated Property |
| η | 0.0008389 | Pa×s | 447.54 | Joback Calculated Property |
| η | 0.0004775 | Pa×s | 494.47 | Joback Calculated Property |
| η | 0.0002997 | Pa×s | 541.40 | Joback Calculated Property |
| η | 0.0002026 | Pa×s | 588.33 | Joback Calculated Property |
| η | 0.0001451 | Pa×s | 635.26 | Joback Calculated Property |
| η | 0.0001088 | Pa×s | 682.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl undecanoate.
Sources
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