- InChI
- InChI=1S/C6H9ClO2/c1-3-4-9-6(8)5(2)7/h3,5H,1,4H2,2H3
- InChI Key
- FDCTVCOKDZZPRP-UHFFFAOYSA-N
- Formula
- C6H9ClO2
- SMILES
- C=CCOC(=O)C(C)Cl
- Molecular Weight1
- 148.59
- Other Names
-
- allyl 2-chloropropionate
- 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 | -404.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.343 | Crippen Calculated Property | |
| McVol | 110.780 | ml/mol | McGowan Calculated Property |
| Inp | [904.00; 949.00] |
|
|
| Inp | 914.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 935.00 | NIST | |
| I | [1382.00; 1387.00] |
|
|
| I | 1385.00 | NIST | |
| I | 1382.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1385.00 | NIST | |
| Tboil | 425.39 | 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 | [205.97; 256.89] | J/mol×K | [428.77; 617.74] |
|
| Cp,gas | 205.97 | J/mol×K | 428.77 | Joback Calculated Property |
| Cp,gas | 215.50 | J/mol×K | 460.26 | Joback Calculated Property |
| Cp,gas | 224.61 | J/mol×K | 491.76 | Joback Calculated Property |
| Cp,gas | 233.29 | J/mol×K | 523.25 | Joback Calculated Property |
| Cp,gas | 241.57 | J/mol×K | 554.75 | Joback Calculated Property |
| Cp,gas | 249.43 | J/mol×K | 586.24 | Joback Calculated Property |
| Cp,gas | 256.89 | J/mol×K | 617.74 | Joback Calculated Property |
| η | [0.0002729; 0.0076482] | Pa×s | [212.87; 428.77] |
|
| η | 0.0076482 | Pa×s | 212.87 | Joback Calculated Property |
| η | 0.0029368 | Pa×s | 248.85 | Joback Calculated Property |
| η | 0.0014362 | Pa×s | 284.84 | Joback Calculated Property |
| η | 0.0008246 | Pa×s | 320.82 | Joback Calculated Property |
| η | 0.0005295 | Pa×s | 356.80 | Joback Calculated Property |
| η | 0.0003688 | Pa×s | 392.79 | Joback Calculated Property |
| η | 0.0002729 | Pa×s | 428.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to PROPANOIC 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
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