- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -158.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.20 | Crippen Calculated Property | |
| logPoct/wat | 1.345 | Crippen Calculated Property | |
| McVol | 110.780 | ml/mol | McGowan Calculated Property |
| Pc | 3291.59 | kPa | Joback 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 | 447.08 | K | Joback Calculated Property |
| Tc | 635.32 | K | Joback Calculated Property |
| Tfus | 257.70 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.87; 256.98] | J/mol×K | [447.08; 635.32] |
|
| Cp,gas | 208.87 | J/mol×K | 447.08 | Joback Calculated Property |
| Cp,gas | 217.78 | J/mol×K | 478.45 | Joback Calculated Property |
| Cp,gas | 226.33 | J/mol×K | 509.83 | Joback Calculated Property |
| Cp,gas | 234.52 | J/mol×K | 541.20 | Joback Calculated Property |
| Cp,gas | 242.35 | J/mol×K | 572.57 | Joback Calculated Property |
| Cp,gas | 249.84 | J/mol×K | 603.95 | Joback Calculated Property |
| Cp,gas | 256.98 | J/mol×K | 635.32 | Joback Calculated Property |
| η | [0.0003006; 0.0027648] | Pa×s | [257.70; 447.08] |
|
| η | 0.0027648 | Pa×s | 257.70 | Joback Calculated Property |
| η | 0.0015611 | Pa×s | 289.26 | Joback Calculated Property |
| η | 0.0009864 | Pa×s | 320.83 | Joback Calculated Property |
| η | 0.0006767 | Pa×s | 352.39 | Joback Calculated Property |
| η | 0.0004939 | Pa×s | 383.95 | Joback Calculated Property |
| η | 0.0003781 | Pa×s | 415.52 | Joback Calculated Property |
| η | 0.0003006 | Pa×s | 447.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro, 2-propenyl ester.
Sources
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