- InChI
- InChI=1S/C8H15ClO2/c1-5-8(3,4)11-7(10)6(2)9/h6H,5H2,1-4H3
- InChI Key
- KNRRHWZKMSHDMA-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CCC(C)(C)OC(=O)C(C)Cl
- 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 | -615.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.52 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.345 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Inp | [1011.00; 1035.00] |
|
|
| Inp | 1016.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1326.00; 1353.00] |
|
|
| I | 1333.00 | NIST | |
| I | 1353.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1327.00 | NIST | |
| Tboil | 442.66 | 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 | [306.13; 377.27] | J/mol×K | [474.62; 667.67] |
|
| Cp,gas | 306.13 | J/mol×K | 474.62 | Joback Calculated Property |
| Cp,gas | 319.72 | J/mol×K | 506.80 | Joback Calculated Property |
| Cp,gas | 332.59 | J/mol×K | 538.97 | Joback Calculated Property |
| Cp,gas | 344.76 | J/mol×K | 571.15 | Joback Calculated Property |
| Cp,gas | 356.25 | J/mol×K | 603.32 | Joback Calculated Property |
| Cp,gas | 367.08 | J/mol×K | 635.50 | Joback Calculated Property |
| Cp,gas | 377.27 | J/mol×K | 667.67 | Joback Calculated Property |
| η | [0.0002322; 0.0118635] | Pa×s | [239.59; 474.62] |
|
| η | 0.0118635 | Pa×s | 239.59 | Joback Calculated Property |
| η | 0.0038856 | Pa×s | 278.76 | Joback Calculated Property |
| η | 0.0016756 | Pa×s | 317.93 | Joback Calculated Property |
| η | 0.0008690 | Pa×s | 357.11 | Joback Calculated Property |
| η | 0.0005131 | Pa×s | 396.28 | Joback Calculated Property |
| η | 0.0003331 | Pa×s | 435.45 | Joback Calculated Property |
| η | 0.0002322 | Pa×s | 474.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-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
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