- InChI
- InChI=1S/C7H11ClO2/c1-3-4-10-7(9)5-6(2)8/h3,6H,1,4-5H2,2H3
- InChI Key
- LOODJSOMVHZXEP-UHFFFAOYSA-N
- Formula
- C7H11ClO2
- SMILES
- C=CCOC(=O)CC(C)Cl
- Molecular Weight1
- 162.61
- 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° | -152.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.66 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.733 | Crippen Calculated Property | |
| McVol | 124.870 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Inp | [1007.00; 1037.00] |
|
|
| Inp | 1032.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1037.00 | NIST | |
| I | [1558.00; 1586.00] |
|
|
| I | 1558.00 | NIST | |
| I | 1586.00 | NIST | |
| Tboil | 469.52 | K | Joback Calculated Property |
| Tc | 660.02 | K | Joback Calculated Property |
| Tfus | 253.97 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
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 | 289.89 | 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 | 433.60 | Joback Calculated Property |
| η | 0.0002704 | Pa×s | 469.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 2-propenyl ester.
Sources
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