- InChI
- InChI=1S/C6H9ClO2/c1-5(3-7)4-9-6(2)8/h3H,4H2,1-2H3/b5-3+
- InChI Key
- XNYISLNQOFYBEH-HWKANZROSA-N
- Formula
- C6H9ClO2
- SMILES
- CC(=O)OCC(C)=CCl
- Molecular Weight1
- 148.59
- 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° | -174.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.53 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.692 | Crippen Calculated Property | |
| McVol | 110.780 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Inp | [976.80; 976.80] |
|
|
| Inp | 976.80 | NIST | |
| Inp | 976.80 | NIST | |
| I | [1392.60; 1392.60] |
|
|
| I | 1392.60 | NIST | |
| I | 1392.60 | NIST | |
| Tboil | 454.44 | K | Joback Calculated Property |
| Tc | 651.59 | K | Joback Calculated Property |
| Tfus | 240.42 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.20; 257.66] | J/mol×K | [454.44; 651.59] |
|
| Cp,gas | 208.20 | J/mol×K | 454.44 | Joback Calculated Property |
| Cp,gas | 217.48 | J/mol×K | 487.30 | Joback Calculated Property |
| Cp,gas | 226.33 | J/mol×K | 520.16 | Joback Calculated Property |
| Cp,gas | 234.76 | J/mol×K | 553.01 | Joback Calculated Property |
| Cp,gas | 242.79 | J/mol×K | 585.87 | Joback Calculated Property |
| Cp,gas | 250.42 | J/mol×K | 618.73 | Joback Calculated Property |
| Cp,gas | 257.66 | J/mol×K | 651.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to E-Acetic acid 3-chloro-2-methyl-allyl ester.
Sources
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