- InChI
- InChI=1S/C7H11ClO2/c1-3-4-10-7(9)5-6(2)8/h3,6H,1,4-5H2,2H3
- InChI Key
- LOODJSOMVHZXEP-UHFFFAOYSA-N
- Formula
- C7H11ClO2
- SMILES
- C=CCOC(=O)CC(C)Cl
- Molecular Weight1
- 162.62
- 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.
- 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 | -435.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.733 | Crippen Calculated Property | |
| McVol | 124.870 | ml/mol | McGowan Calculated Property |
| Inp | [1007.00; 1037.00] |
|
|
| Inp | 1032.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1037.00 | NIST | |
| I | [1558.00; 1586.00] |
|
|
| I | 1558.00 | NIST | |
| I | 1586.00 | NIST | |
| Tboil | 437.75 | 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, 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 | [244.93; 302.35] | J/mol×K | [451.65; 638.84] |
|
| Cp,gas | 244.93 | J/mol×K | 451.65 | Joback Calculated Property |
| Cp,gas | 255.69 | J/mol×K | 482.85 | Joback Calculated Property |
| Cp,gas | 265.97 | J/mol×K | 514.05 | Joback Calculated Property |
| Cp,gas | 275.76 | J/mol×K | 545.25 | Joback Calculated Property |
| Cp,gas | 285.08 | J/mol×K | 576.45 | Joback Calculated Property |
| Cp,gas | 293.94 | J/mol×K | 607.64 | Joback Calculated Property |
| Cp,gas | 302.35 | J/mol×K | 638.84 | Joback Calculated Property |
| η | [0.0002553; 0.0074853] | Pa×s | [224.14; 451.65] |
|
| η | 0.0074853 | Pa×s | 224.14 | Joback Calculated Property |
| η | 0.0028363 | Pa×s | 262.06 | Joback Calculated Property |
| η | 0.0013736 | Pa×s | 299.98 | Joback Calculated Property |
| η | 0.0007827 | Pa×s | 337.89 | Joback Calculated Property |
| η | 0.0004997 | Pa×s | 375.81 | Joback Calculated Property |
| η | 0.0003463 | Pa×s | 413.73 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 451.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 2-propenyl 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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