- InChI
- InChI=1S/C13H21Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12(17)13(14,15)16/h9-10H,2-8,11H2,1H3/b10-9+
- InChI Key
- HPCFGWRDJUTDBB-MDZDMXLPSA-N
- Formula
- C13H21Cl3O2
- SMILES
- CCCCCCCCC=CCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 315.66
- 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 | -570.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.207 | Crippen Calculated Property | |
| McVol | 233.890 | ml/mol | McGowan Calculated Property |
| Inp | 1859.00 | NIST | |
| Tboil | 557.69 | K | Relay (1.0) Calculated Property |
| Tc | 759.13 | K | Relay (1.0) Calculated Property |
| Tfus | 253.85 | 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 | [322.35; 693.82] | 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 | 1.64980e+01 | |||
| Coefficient B | 1.35022e+00 | |||
| Coefficient C | -9.05600e-04 | |||
| Coefficient D | 2.32700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 322.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 391.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 451.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 503.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 548.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 587.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 620.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 649.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 673.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 693.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022806; 0.0001301] | Pa×s | [365.70; 603.99] |
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 | -1.33433e+01 | |||
| Coefficient B | 2.65498e+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. | 365.70 | |||
| Temperature range, max. | 603.99 | |||
| η | 0.0022806 | Pa×s | 365.70 | Calculated Property |
| η | 0.0013970 | Pa×s | 392.18 | Calculated Property |
| η | 0.0009104 | Pa×s | 418.65 | Calculated Property |
| η | 0.0006243 | Pa×s | 445.13 | Calculated Property |
| η | 0.0004467 | Pa×s | 471.61 | Calculated Property |
| η | 0.0003312 | Pa×s | 498.08 | Calculated Property |
| η | 0.0002530 | Pa×s | 524.56 | Calculated Property |
| η | 0.0001984 | Pa×s | 551.04 | Calculated Property |
| η | 0.0001591 | Pa×s | 577.51 | Calculated Property |
| η | 0.0001301 | Pa×s | 603.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic 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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