- InChI
- InChI=1S/C8H15ClO3/c1-7(3-4-11-2)6-12-8(10)5-9/h7H,3-6H2,1-2H3
- InChI Key
- IODHLYFOVDUSHK-UHFFFAOYSA-N
- Formula
- C8H15ClO3
- SMILES
- COCCC(C)COC(=O)CCl
- Molecular Weight1
- 194.66
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -678.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.441 | Crippen Calculated Property | |
| McVol | 149.130 | ml/mol | McGowan Calculated Property |
| Inp | [1285.00; 1285.00] |
|
|
| Inp | 1285.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Tboil | 508.35 | K | Relay (1.0) Calculated Property |
| Tfus | 218.30 | 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 | [327.34; 393.72] | J/mol×K | [500.27; 681.11] |
|
| Cp,gas | 327.34 | J/mol×K | 500.27 | Joback Calculated Property |
| Cp,gas | 339.60 | J/mol×K | 530.41 | Joback Calculated Property |
| Cp,gas | 351.38 | J/mol×K | 560.55 | Joback Calculated Property |
| Cp,gas | 362.69 | J/mol×K | 590.69 | Joback Calculated Property |
| Cp,gas | 373.52 | J/mol×K | 620.83 | Joback Calculated Property |
| Cp,gas | 383.86 | J/mol×K | 650.97 | Joback Calculated Property |
| Cp,gas | 393.72 | J/mol×K | 681.11 | Joback Calculated Property |
| η | [0.0001885; 0.0051758] | Pa×s | [259.40; 500.27] |
|
| η | 0.0051758 | Pa×s | 259.40 | Joback Calculated Property |
| η | 0.0020584 | Pa×s | 299.54 | Joback Calculated Property |
| η | 0.0010180 | Pa×s | 339.69 | Joback Calculated Property |
| η | 0.0005842 | Pa×s | 379.83 | Joback Calculated Property |
| η | 0.0003728 | Pa×s | 419.98 | Joback Calculated Property |
| η | 0.0002573 | Pa×s | 460.12 | Joback Calculated Property |
| η | 0.0001885 | Pa×s | 500.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 4-methoxy-2-methylbutyl 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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