- InChI
- InChI=1S/C8H13ClO2/c1-4-5-6(2)11-8(10)7(3)9/h4,6-7H,1,5H2,2-3H3
- InChI Key
- QVYJRALGDILKPA-UHFFFAOYSA-N
- Formula
- C8H13ClO2
- SMILES
- C=CCC(C)OC(=O)C(C)Cl
- Molecular Weight1
- 176.64
- 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 | -483.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Inp | [1032.00; 1062.00] |
|
|
| Inp | 1040.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1057.00 | NIST | |
| I | [1434.00; 1438.00] |
|
|
| I | 1436.00 | NIST | |
| I | 1434.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1436.00 | NIST | |
| Tboil | 441.12 | 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 | [286.24; 351.01] | J/mol×K | [474.09; 663.50] |
|
| Cp,gas | 286.24 | J/mol×K | 474.09 | Joback Calculated Property |
| Cp,gas | 298.44 | J/mol×K | 505.66 | Joback Calculated Property |
| Cp,gas | 310.06 | J/mol×K | 537.23 | Joback Calculated Property |
| Cp,gas | 321.11 | J/mol×K | 568.79 | Joback Calculated Property |
| Cp,gas | 331.62 | J/mol×K | 600.36 | Joback Calculated Property |
| Cp,gas | 341.58 | J/mol×K | 631.93 | Joback Calculated Property |
| Cp,gas | 351.01 | J/mol×K | 663.50 | Joback Calculated Property |
| η | [0.0002243; 0.0118813] | Pa×s | [220.41; 474.09] |
|
| η | 0.0118813 | Pa×s | 220.41 | Joback Calculated Property |
| η | 0.0035998 | Pa×s | 262.69 | Joback Calculated Property |
| η | 0.0015187 | Pa×s | 304.97 | Joback Calculated Property |
| η | 0.0007906 | Pa×s | 347.25 | Joback Calculated Property |
| η | 0.0004742 | Pa×s | 389.53 | Joback Calculated Property |
| η | 0.0003144 | Pa×s | 431.81 | Joback Calculated Property |
| η | 0.0002243 | Pa×s | 474.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-chloro, 1-methyl-3-butenyl 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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