- InChI
- InChI=1S/C8H13Cl3O2/c1-2-3-4-5-7(12)13-6-8(9,10)11/h2-6H2,1H3
- InChI Key
- WGQPNMRSQVQUSL-UHFFFAOYSA-N
- Formula
- C8H13Cl3O2
- SMILES
- CCCCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 247.55
- Other Names
-
- Hexanoic acid, 2,2,2-trichloroethyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -250.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.60 | Crippen Calculated Property | |
| logPoct/wat | 3.480 | Crippen Calculated Property | |
| McVol | 167.740 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [1336.00; 1390.00] |
|
|
| Inp | 1378.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1378.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1390.00 | NIST | |
| Inp | Outlier 1336.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1384.00 | NIST | |
| I | [1738.00; 1784.00] |
|
|
| I | 1738.00 | NIST | |
| I | 1761.00 | NIST | |
| I | 1739.00 | NIST | |
| I | Outlier 1784.00 | NIST | |
| I | 1753.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1738.00 | NIST | |
| Tboil | 567.79 | K | Joback Calculated Property |
| Tc | 769.47 | K | Joback Calculated Property |
| Tfus | 344.26 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.45; 422.23] | J/mol×K | [567.79; 769.47] |
|
| Cp,gas | 363.45 | J/mol×K | 567.79 | Joback Calculated Property |
| Cp,gas | 374.85 | J/mol×K | 601.40 | Joback Calculated Property |
| Cp,gas | 385.58 | J/mol×K | 635.02 | Joback Calculated Property |
| Cp,gas | 395.65 | J/mol×K | 668.63 | Joback Calculated Property |
| Cp,gas | 405.09 | J/mol×K | 702.24 | Joback Calculated Property |
| Cp,gas | 413.95 | J/mol×K | 735.85 | Joback Calculated Property |
| Cp,gas | 422.23 | J/mol×K | 769.47 | Joback Calculated Property |
| η | [0.0002194; 0.0026742] | Pa×s | [344.26; 567.79] |
|
| η | 0.0026742 | Pa×s | 344.26 | Joback Calculated Property |
| η | 0.0014383 | Pa×s | 381.51 | Joback Calculated Property |
| η | 0.0008638 | Pa×s | 418.77 | Joback Calculated Property |
| η | 0.0005639 | Pa×s | 456.02 | Joback Calculated Property |
| η | 0.0003926 | Pa×s | 493.28 | Joback Calculated Property |
| η | 0.0002876 | Pa×s | 530.53 | Joback Calculated Property |
| η | 0.0002194 | Pa×s | 567.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl hexanoate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.