- InChI
- InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
- InChI Key
- KZMDFTFGWIVSNQ-UHFFFAOYSA-N
- Formula
- C9H9ClO2
- SMILES
- O=C(O)CCc1ccccc1Cl
- Molecular Weight1
- 184.62
- CAS
- 1643-28-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6955 | Relay (... Calculated Property | |
| ΔfG° | -149.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -2.33 | Relay (... Calculated Property | |
| logPoct/wat | 2.357 | Crippen Calculated Property | |
| McVol | 133.590 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 561.88 | K | Relay (... Calculated Property |
| Tc | 795.42 | K | Relay (... Calculated Property |
| Tfus | 362.84 | K | Relay (... Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.06; 351.37] | J/mol×K | [620.46; 828.56] | 
|
| Cp,gas | 303.06 | J/mol×K | 620.46 | Joback Calculated Property |
| Cp,gas | 312.55 | J/mol×K | 655.14 | Joback Calculated Property |
| Cp,gas | 321.43 | J/mol×K | 689.83 | Joback Calculated Property |
| Cp,gas | 329.72 | J/mol×K | 724.51 | Joback Calculated Property |
| Cp,gas | 337.46 | J/mol×K | 759.19 | Joback Calculated Property |
| Cp,gas | 344.67 | J/mol×K | 793.88 | Joback Calculated Property |
| Cp,gas | 351.37 | J/mol×K | 828.56 | Joback Calculated Property |
| η | [0.0000910; 0.0031870] | Pa×s | [370.80; 620.46] |
|
| η | 0.0031870 | Pa×s | 370.80 | Joback Calculated Property |
| η | 0.0013065 | Pa×s | 412.41 | Joback Calculated Property |
| η | 0.0006307 | Pa×s | 454.02 | Joback Calculated Property |
| η | 0.0003441 | Pa×s | 495.63 | Joback Calculated Property |
| η | 0.0002062 | Pa×s | 537.24 | Joback Calculated Property |
| η | 0.0001330 | Pa×s | 578.85 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 620.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(2-Chlorophenyl)propionic acid.
Sources
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