- InChI
- InChI=1S/C6H10Cl2O2/c1-3-4(2)10-6(9)5(7)8/h4-5H,3H2,1-2H3
- InChI Key
- IQYVZHJFEAIITM-UHFFFAOYSA-N
- Formula
- C6H10Cl2O2
- SMILES
- CCC(C)OC(=O)C(Cl)Cl
- Molecular Weight1
- 185.05
- CAS
- 62223-12-5
- Other Names
-
- Acetic acid, dichloro, 1-methylpropyl ester
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -534.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.58 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 127.320 | ml/mol | McGowan Calculated Property |
| Inp | 1015.00 | NIST | |
| I | 1427.00 | NIST | |
| Tboil | 439.85 | K | Relay (1.0) Calculated Property |
| Tfus | 223.89 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [246.57; 300.32] | J/mol×K | [469.08; 664.81] | 
|
| Cp,gas | 246.57 | J/mol×K | 469.08 | Joback Calculated Property |
| Cp,gas | 256.71 | J/mol×K | 501.70 | Joback Calculated Property |
| Cp,gas | 266.37 | J/mol×K | 534.32 | Joback Calculated Property |
| Cp,gas | 275.56 | J/mol×K | 566.95 | Joback Calculated Property |
| Cp,gas | 284.28 | J/mol×K | 599.57 | Joback Calculated Property |
| Cp,gas | 292.53 | J/mol×K | 632.19 | Joback Calculated Property |
| Cp,gas | 300.32 | J/mol×K | 664.81 | Joback Calculated Property |
| η | [0.0002614; 0.0110547] | Pa×s | [229.55; 469.08] |
|
| η | 0.0110547 | Pa×s | 229.55 | Joback Calculated Property |
| η | 0.0037300 | Pa×s | 269.47 | Joback Calculated Property |
| η | 0.0016659 | Pa×s | 309.39 | Joback Calculated Property |
| η | 0.0008945 | Pa×s | 349.31 | Joback Calculated Property |
| η | 0.0005457 | Pa×s | 389.24 | Joback Calculated Property |
| η | 0.0003649 | Pa×s | 429.16 | Joback Calculated Property |
| η | 0.0002614 | Pa×s | 469.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic acid, 2-butyl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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