- InChI
- InChI=1S/C6H7ClO2/c1-2-5-9-6(8)3-4-7/h1H,3-5H2
- InChI Key
- YDELXAFUTFIRRH-UHFFFAOYSA-N
- Formula
- C6H7ClO2
- SMILES
- C#CCOC(=O)CCCl
- Molecular Weight1
- 146.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -23.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.35 | kJ/mol | Joback Calculated Property |
| log10WS | -1.14 | Crippen Calculated Property | |
| logPoct/wat | 0.792 | Crippen Calculated Property | |
| McVol | 106.480 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Inp | [978.00; 1011.00] |
|
|
| Inp | 989.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 989.00 | NIST | |
| I | [1712.00; 1742.00] |
|
|
| I | 1723.00 | NIST | |
| I | 1712.00 | NIST | |
| I | 1742.00 | NIST | |
| Tboil | 440.52 | K | Joback Calculated Property |
| Tc | 638.24 | K | Joback Calculated Property |
| Tfus | 306.43 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.50; 238.48] | J/mol×K | [440.52; 638.24] |
|
| Cp,gas | 196.50 | J/mol×K | 440.52 | Joback Calculated Property |
| Cp,gas | 204.32 | J/mol×K | 473.47 | Joback Calculated Property |
| Cp,gas | 211.81 | J/mol×K | 506.43 | Joback Calculated Property |
| Cp,gas | 218.96 | J/mol×K | 539.38 | Joback Calculated Property |
| Cp,gas | 225.79 | J/mol×K | 572.33 | Joback Calculated Property |
| Cp,gas | 232.29 | J/mol×K | 605.29 | Joback Calculated Property |
| Cp,gas | 238.48 | J/mol×K | 638.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro, 2-propynyl ester.
Sources
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