- InChI
- InChI=1S/C11H20Cl2O2/c1-8(6-11(2,3)4)5-10(14)15-7-9(12)13/h8-9H,5-7H2,1-4H3
- InChI Key
- RSKTUVAAPJFFDM-UHFFFAOYSA-N
- Formula
- C11H20Cl2O2
- SMILES
- CC(CC(=O)OCC(Cl)Cl)CC(C)(C)C
- Molecular Weight1
- 255.19
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -666.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.90 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.796 | Crippen Calculated Property | |
| McVol | 197.770 | ml/mol | McGowan Calculated Property |
| Inp | [1464.00; 1464.00] |
|
|
| Inp | 1464.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Tboil | 514.04 | K | Relay (1.0) Calculated Property |
| Tc | 713.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [480.40; 558.43] | J/mol×K | [598.12; 795.12] |
|
| Cp,gas | 480.40 | J/mol×K | 598.12 | Joback Calculated Property |
| Cp,gas | 495.41 | J/mol×K | 630.95 | Joback Calculated Property |
| Cp,gas | 509.57 | J/mol×K | 663.79 | Joback Calculated Property |
| Cp,gas | 522.92 | J/mol×K | 696.62 | Joback Calculated Property |
| Cp,gas | 535.49 | J/mol×K | 729.45 | Joback Calculated Property |
| Cp,gas | 547.32 | J/mol×K | 762.29 | Joback Calculated Property |
| Cp,gas | 558.43 | J/mol×K | 795.12 | Joback Calculated Property |
| η | [0.0001437; 0.0047182] | Pa×s | [318.15; 598.12] |
|
| η | 0.0047182 | Pa×s | 318.15 | Joback Calculated Property |
| η | 0.0018172 | Pa×s | 364.81 | Joback Calculated Property |
| η | 0.0008690 | Pa×s | 411.47 | Joback Calculated Property |
| η | 0.0004829 | Pa×s | 458.13 | Joback Calculated Property |
| η | 0.0002992 | Pa×s | 504.80 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 551.46 | Joback Calculated Property |
| η | 0.0001437 | Pa×s | 598.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 2,2-dichloroethyl 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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