- InChI
- InChI=1S/C8H15ClO2/c1-5(2)7(4)11-8(10)6(3)9/h5-7H,1-4H3
- InChI Key
- CERNFPCEYCDJQG-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CC(Cl)C(=O)OC(C)C(C)C
- Molecular Weight1
- 178.66
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -593.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.22 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.201 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Inp | [1032.00; 1054.00] |
|
|
| Inp | 1037.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1044.00 | NIST | |
| I | [1366.00; 1386.00] |
|
|
| I | 1368.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1369.00 | NIST | |
| I | 1366.00 | NIST | |
| Tboil | 442.65 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 | [303.60; 373.97] | J/mol×K | [476.97; 666.63] |
|
| Cp,gas | 303.60 | J/mol×K | 476.97 | Joback Calculated Property |
| Cp,gas | 316.78 | J/mol×K | 508.58 | Joback Calculated Property |
| Cp,gas | 329.37 | J/mol×K | 540.19 | Joback Calculated Property |
| Cp,gas | 341.37 | J/mol×K | 571.80 | Joback Calculated Property |
| Cp,gas | 352.81 | J/mol×K | 603.41 | Joback Calculated Property |
| Cp,gas | 363.67 | J/mol×K | 635.02 | Joback Calculated Property |
| Cp,gas | 373.97 | J/mol×K | 666.63 | Joback Calculated Property |
| η | [0.0002102; 0.0242046] | Pa×s | [207.17; 476.97] |
|
| η | 0.0242046 | Pa×s | 207.17 | Joback Calculated Property |
| η | 0.0054205 | Pa×s | 252.14 | Joback Calculated Property |
| η | 0.0019094 | Pa×s | 297.10 | Joback Calculated Property |
| η | 0.0008849 | Pa×s | 342.07 | Joback Calculated Property |
| η | 0.0004903 | Pa×s | 387.04 | Joback Calculated Property |
| η | 0.0003072 | Pa×s | 432.00 | Joback Calculated Property |
| η | 0.0002102 | Pa×s | 476.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-chloro, 1,2-dimethylpropyl 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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