- InChI
- InChI=1S/C6H9ClO2/c1-4(8)6(7)5(2)9-3/h1-3H3/b6-5-
- InChI Key
- HFVPSGDRPXDAAV-WAYWQWQTSA-N
- Formula
- C6H9ClO2
- SMILES
- COC(C)=C(Cl)C(C)=O
- Molecular Weight1
- 148.59
- CAS
- 66694-88-0
- 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).
- 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° | -183.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.61 | 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 | 3368.44 | kPa | Joback Calculated Property |
| Tboil | 454.32 | K | Joback Calculated Property |
| Tc | 655.34 | K | Joback Calculated Property |
| Tfus | 226.46 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.13; 258.24] | J/mol×K | [454.32; 655.34] | 
|
| Cp,gas | 208.13 | J/mol×K | 454.32 | Joback Calculated Property |
| Cp,gas | 217.56 | J/mol×K | 487.82 | Joback Calculated Property |
| Cp,gas | 226.54 | J/mol×K | 521.33 | Joback Calculated Property |
| Cp,gas | 235.08 | J/mol×K | 554.83 | Joback Calculated Property |
| Cp,gas | 243.21 | J/mol×K | 588.34 | Joback Calculated Property |
| Cp,gas | 250.92 | J/mol×K | 621.84 | Joback Calculated Property |
| Cp,gas | 258.24 | J/mol×K | 655.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-2-one, 3-chloro-4-methoxy-, (Z)-.
Sources
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