- InChI
- InChI=1S/C8H15ClO2/c1-4-8(2,3)11-7(10)5-6-9/h4-6H2,1-3H3
- InChI Key
- HXHRFYXAXAWJCI-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CCC(C)(C)OC(=O)CCCl
- 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 | -586.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.36 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.347 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Inp | [1081.00; 1105.00] |
|
|
| Inp | 1085.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1093.00 | NIST | |
| I | [1475.00; 1490.00] |
|
|
| I | 1477.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1475.00 | NIST | |
| I | 1475.00 | NIST | |
| I | 1477.00 | NIST | |
| Tboil | 460.99 | 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 | [305.97; 375.42] | J/mol×K | [475.06; 663.90] |
|
| Cp,gas | 305.97 | J/mol×K | 475.06 | Joback Calculated Property |
| Cp,gas | 319.19 | J/mol×K | 506.53 | Joback Calculated Property |
| Cp,gas | 331.72 | J/mol×K | 538.01 | Joback Calculated Property |
| Cp,gas | 343.59 | J/mol×K | 569.48 | Joback Calculated Property |
| Cp,gas | 354.82 | J/mol×K | 600.96 | Joback Calculated Property |
| Cp,gas | 365.42 | J/mol×K | 632.43 | Joback Calculated Property |
| Cp,gas | 375.42 | J/mol×K | 663.90 | Joback Calculated Property |
| η | [0.0002443; 0.0073222] | Pa×s | [254.59; 475.06] |
|
| η | 0.0073222 | Pa×s | 254.59 | Joback Calculated Property |
| η | 0.0029062 | Pa×s | 291.33 | Joback Calculated Property |
| η | 0.0014187 | Pa×s | 328.08 | Joback Calculated Property |
| η | 0.0008002 | Pa×s | 364.82 | Joback Calculated Property |
| η | 0.0005012 | Pa×s | 401.57 | Joback Calculated Property |
| η | 0.0003395 | Pa×s | 438.31 | Joback Calculated Property |
| η | 0.0002443 | Pa×s | 475.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro, 1,1-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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