- InChI
- InChI=1S/C7H11ClO2/c1-3-5-10-7(9)6(8)4-2/h3,6H,1,4-5H2,2H3
- InChI Key
- TZIYTVFUJREYDE-UHFFFAOYSA-N
- Formula
- C7H11ClO2
- SMILES
- C=CCOC(=O)C(Cl)CC
- Molecular Weight1
- 162.61
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -441.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.733 | Crippen Calculated Property | |
| McVol | 124.870 | ml/mol | McGowan Calculated Property |
| Tboil | 435.56 | 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 | [248.56; 304.57] | J/mol×K | [469.52; 660.02] | 
|
| Cp,gas | 248.56 | J/mol×K | 469.52 | Joback Calculated Property |
| Cp,gas | 258.99 | J/mol×K | 501.27 | Joback Calculated Property |
| Cp,gas | 268.98 | J/mol×K | 533.02 | Joback Calculated Property |
| Cp,gas | 278.52 | J/mol×K | 564.77 | Joback Calculated Property |
| Cp,gas | 287.63 | J/mol×K | 596.52 | Joback Calculated Property |
| Cp,gas | 296.31 | J/mol×K | 628.27 | Joback Calculated Property |
| Cp,gas | 304.57 | J/mol×K | 660.02 | Joback Calculated Property |
| η | [0.0002704; 0.0039384] | Pa×s | [253.97; 469.52] |
|
| η | 0.0039384 | Pa×s | 253.97 | Joback Calculated Property |
| η | 0.0019112 | Pa×s | 289.90 | Joback Calculated Property |
| η | 0.0010878 | Pa×s | 325.82 | Joback Calculated Property |
| η | 0.0006924 | Pa×s | 361.75 | Joback Calculated Property |
| η | 0.0004783 | Pa×s | 397.67 | Joback Calculated Property |
| η | 0.0003512 | Pa×s | 433.59 | Joback Calculated Property |
| η | 0.0002704 | Pa×s | 469.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-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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