- InChI
- InChI=1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
- InChI Key
- SARRRAKOHPKFBW-TWGQIWQCSA-N
- Formula
- C9H7ClO
- SMILES
- O=CC(Cl)=Cc1ccccc1
- Molecular Weight1
- 166.60
- CAS
- 18365-42-9
- Other Names
-
- 2-Propenal, 2-chloro-3-phenyl-
- Cinnamaldehyde, «alpha»-chloro-
- 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° | 97.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.465 | Crippen Calculated Property | |
| McVol | 123.420 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Tboil | 522.13 | K | Joback Calculated Property |
| Tc | 755.23 | K | Joback Calculated Property |
| Tfus | 270.49 | K | Joback Calculated Property |
| Vc | 0.478 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.70; 297.36] | J/mol×K | [522.13; 755.23] | 
|
| Cp,gas | 241.70 | J/mol×K | 522.13 | Joback Calculated Property |
| Cp,gas | 253.02 | J/mol×K | 560.98 | Joback Calculated Property |
| Cp,gas | 263.44 | J/mol×K | 599.83 | Joback Calculated Property |
| Cp,gas | 273.02 | J/mol×K | 638.68 | Joback Calculated Property |
| Cp,gas | 281.82 | J/mol×K | 677.53 | Joback Calculated Property |
| Cp,gas | 289.92 | J/mol×K | 716.38 | Joback Calculated Property |
| Cp,gas | 297.36 | J/mol×K | 755.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Chlorocinnamaldehyde.
Sources
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