- InChI
- InChI=1S/C7H11ClO2/c1-2-6-10-7(9)4-3-5-8/h2H,1,3-6H2
- InChI Key
- NSCJTNOFIYBWFN-UHFFFAOYSA-N
- Formula
- C7H11ClO2
- SMILES
- C=CCOC(=O)CCCCl
- 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 | -411.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.735 | Crippen Calculated Property | |
| McVol | 124.870 | ml/mol | McGowan Calculated Property |
| Inp | [1077.00; 1105.00] |
|
|
| Inp | 1097.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1105.00 | NIST | |
| I | [1671.00; 1692.00] |
|
|
| I | 1671.00 | NIST | |
| I | 1692.00 | NIST | |
| Tboil | 462.52 | 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 | [244.79; 300.72] | J/mol×K | [452.09; 635.17] |
|
| Cp,gas | 244.79 | J/mol×K | 452.09 | Joback Calculated Property |
| Cp,gas | 255.24 | J/mol×K | 482.60 | Joback Calculated Property |
| Cp,gas | 265.22 | J/mol×K | 513.12 | Joback Calculated Property |
| Cp,gas | 274.75 | J/mol×K | 543.63 | Joback Calculated Property |
| Cp,gas | 283.84 | J/mol×K | 574.14 | Joback Calculated Property |
| Cp,gas | 292.50 | J/mol×K | 604.65 | Joback Calculated Property |
| Cp,gas | 300.72 | J/mol×K | 635.17 | Joback Calculated Property |
| η | [0.0002676; 0.0047976] | Pa×s | [239.14; 452.09] |
|
| η | 0.0047976 | Pa×s | 239.14 | Joback Calculated Property |
| η | 0.0021731 | Pa×s | 274.63 | Joback Calculated Property |
| η | 0.0011800 | Pa×s | 310.12 | Joback Calculated Property |
| η | 0.0007263 | Pa×s | 345.62 | Joback Calculated Property |
| η | 0.0004894 | Pa×s | 381.11 | Joback Calculated Property |
| η | 0.0003527 | Pa×s | 416.60 | Joback Calculated Property |
| η | 0.0002676 | Pa×s | 452.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-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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