- InChI
- InChI=1S/C10H9ClO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7-
- InChI Key
- XHVFFQBYESFJLP-YFHOEESVSA-N
- Formula
- C10H9ClO
- SMILES
- CC(=O)C(Cl)=Cc1ccccc1
- Molecular Weight1
- 180.63
- CAS
- 53973-14-1
- 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° | 76.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 2.855 | Crippen Calculated Property | |
| McVol | 137.510 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 550.22 | K | Joback Calculated Property |
| Tc | 784.68 | K | Joback Calculated Property |
| Tfus | 289.69 | K | Joback Calculated Property |
| Vc | 0.523 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.83; 346.37] | J/mol×K | [550.22; 784.68] | 
|
| Cp,gas | 283.83 | J/mol×K | 550.22 | Joback Calculated Property |
| Cp,gas | 296.46 | J/mol×K | 589.30 | Joback Calculated Property |
| Cp,gas | 308.11 | J/mol×K | 628.37 | Joback Calculated Property |
| Cp,gas | 318.86 | J/mol×K | 667.45 | Joback Calculated Property |
| Cp,gas | 328.78 | J/mol×K | 706.52 | Joback Calculated Property |
| Cp,gas | 337.93 | J/mol×K | 745.60 | Joback Calculated Property |
| Cp,gas | 346.37 | J/mol×K | 784.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-4-phenyl-3-butene-2-one.
Sources
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