- InChI
- InChI=1S/C6H9ClO2/c1-2-5-9-6(8)3-4-7/h2H,1,3-5H2
- InChI Key
- CTPKUPQTROHREC-UHFFFAOYSA-N
- Formula
- C6H9ClO2
- SMILES
- C=CCOC(=O)CCCl
- Molecular Weight1
- 148.59
- 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 | -384.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.345 | Crippen Calculated Property | |
| McVol | 110.780 | ml/mol | McGowan Calculated Property |
| Inp | [968.00; 1004.00] |
|
|
| Inp | 977.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 997.00 | NIST | |
| I | [1516.00; 1528.00] |
|
|
| I | 1521.00 | NIST | |
| I | 1516.00 | NIST | |
| I | 1528.00 | NIST | |
| Tboil | 446.25 | 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 | [205.88; 255.37] | J/mol×K | [429.21; 613.90] |
|
| Cp,gas | 205.88 | J/mol×K | 429.21 | Joback Calculated Property |
| Cp,gas | 215.10 | J/mol×K | 459.99 | Joback Calculated Property |
| Cp,gas | 223.94 | J/mol×K | 490.77 | Joback Calculated Property |
| Cp,gas | 232.37 | J/mol×K | 521.55 | Joback Calculated Property |
| Cp,gas | 240.42 | J/mol×K | 552.33 | Joback Calculated Property |
| Cp,gas | 248.08 | J/mol×K | 583.12 | Joback Calculated Property |
| Cp,gas | 255.37 | J/mol×K | 613.90 | Joback Calculated Property |
| η | [0.0002847; 0.0047911] | Pa×s | [227.87; 429.21] |
|
| η | 0.0047911 | Pa×s | 227.87 | Joback Calculated Property |
| η | 0.0022129 | Pa×s | 261.43 | Joback Calculated Property |
| η | 0.0012185 | Pa×s | 294.98 | Joback Calculated Property |
| η | 0.0007579 | Pa×s | 328.54 | Joback Calculated Property |
| η | 0.0005148 | Pa×s | 362.10 | Joback Calculated Property |
| η | 0.0003734 | Pa×s | 395.65 | Joback Calculated Property |
| η | 0.0002847 | Pa×s | 429.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic 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
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