- InChI
- InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
- InChI Key
- KJRRTHHNKJBVBO-AATRIKPKSA-N
- Formula
- C9H7ClO2
- SMILES
- O=C(O)C=Cc1ccccc1Cl
- Molecular Weight1
- 182.60
- CAS
- 3752-25-8
- Other Names
-
- o-Chlorocinnamic acid
- 2-Propenoic acid, 3-(2-chlorophenyl)-
- Cinnamic acid, o-chloro-
- 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 | 0.6493 | Relay (1.0) Calculated Property | |
| ΔfG° | -69.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.438 | Crippen Calculated Property | |
| McVol | 129.290 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Tboil | 570.19 | K | Relay (1.0) Calculated Property |
| Tc | 804.79 | K | Relay (1.0) Calculated Property |
| Tfus | 401.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.40; 325.27] | J/mol×K | [624.62; 841.31] | 
|
| Cp,gas | 281.40 | J/mol×K | 624.62 | Joback Calculated Property |
| Cp,gas | 290.14 | J/mol×K | 660.73 | Joback Calculated Property |
| Cp,gas | 298.25 | J/mol×K | 696.85 | Joback Calculated Property |
| Cp,gas | 305.78 | J/mol×K | 732.96 | Joback Calculated Property |
| Cp,gas | 312.76 | J/mol×K | 769.08 | Joback Calculated Property |
| Cp,gas | 319.25 | J/mol×K | 805.19 | Joback Calculated Property |
| Cp,gas | 325.27 | J/mol×K | 841.31 | Joback Calculated Property |
| η | [0.0000767; 0.0030646] | Pa×s | [365.72; 624.62] |
|
| η | 0.0030646 | Pa×s | 365.72 | Joback Calculated Property |
| η | 0.0011985 | Pa×s | 408.87 | Joback Calculated Property |
| η | 0.0005607 | Pa×s | 452.02 | Joback Calculated Property |
| η | 0.0002995 | Pa×s | 495.17 | Joback Calculated Property |
| η | 0.0001769 | Pa×s | 538.32 | Joback Calculated Property |
| η | 0.0001129 | Pa×s | 581.47 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 624.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorocinnamic acid.
Sources
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