![2-[2-Chlorophenyl]propenoic acid](/cid/97-143-6/2-2-Chlorophenyl-propenoic-acid.png "2-[2-Chlorophenyl]propenoic acid")
- InChI
- InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-6H,1H3,(H,12,13)/b7-6-
- InChI Key
- MPYCDNZCWADMHD-SREVYHEPSA-N
- Formula
- C9H7ClO2
- SMILES
- CC(=CC(=O)O)c1ccccc1Cl
- Molecular Weight1
- 182.60
- CAS
- 4513-41-1
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6678 | Relay (1.0) Calculated Property | |
| ΔfG° | -69.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.828 | Crippen Calculated Property | |
| McVol | 143.380 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Tboil | 573.01 | K | Relay (1.0) Calculated Property |
| Tc | 810.42 | K | Relay (1.0) Calculated Property |
| Tfus | 378.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.79; 376.76] | J/mol×K | [647.38; 863.97] | 
|
| Cp,gas | 327.79 | J/mol×K | 647.38 | Joback Calculated Property |
| Cp,gas | 337.49 | J/mol×K | 683.48 | Joback Calculated Property |
| Cp,gas | 346.50 | J/mol×K | 719.58 | Joback Calculated Property |
| Cp,gas | 354.89 | J/mol×K | 755.67 | Joback Calculated Property |
| Cp,gas | 362.70 | J/mol×K | 791.77 | Joback Calculated Property |
| Cp,gas | 369.98 | J/mol×K | 827.87 | Joback Calculated Property |
| Cp,gas | 376.76 | J/mol×K | 863.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-[2-Chlorophenyl]propenoic acid.
Sources
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