- InChI
- InChI=1S/C8H7ClO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key
- UFEYMXHWIHFRBX-UHFFFAOYSA-N
- Formula
- C8H7ClO3
- SMILES
- COc1cc(Cl)ccc1C(=O)O
- Molecular Weight1
- 186.59
- CAS
- 57479-70-6
- Other Names
-
- 4-Chloro-o-anisic acid
- Benzoic acid, 4-chloro-2-methoxy-
- 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 | 0.7163 | Relay (1.0) Calculated Property | |
| ΔfG° | -273.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.047 | Crippen Calculated Property | |
| McVol | 125.370 | ml/mol | McGowan Calculated Property |
| Pc | 3985.56 | kPa | Joback Calculated Property |
| Tboil | 567.18 | K | Relay (1.0) Calculated Property |
| Tc | 796.37 | K | Relay (1.0) Calculated Property |
| Tfus | 409.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.43; 320.26] | J/mol×K | [624.98; 835.06] | 
|
| Cp,gas | 277.43 | J/mol×K | 624.98 | Joback Calculated Property |
| Cp,gas | 285.78 | J/mol×K | 659.99 | Joback Calculated Property |
| Cp,gas | 293.65 | J/mol×K | 695.01 | Joback Calculated Property |
| Cp,gas | 301.02 | J/mol×K | 730.02 | Joback Calculated Property |
| Cp,gas | 307.91 | J/mol×K | 765.03 | Joback Calculated Property |
| Cp,gas | 314.32 | J/mol×K | 800.05 | Joback Calculated Property |
| Cp,gas | 320.26 | J/mol×K | 835.06 | Joback Calculated Property |
| η | [0.0000777; 0.0016343] | Pa×s | [394.28; 624.98] |
|
| η | 0.0016343 | Pa×s | 394.28 | Joback Calculated Property |
| η | 0.0007850 | Pa×s | 432.73 | Joback Calculated Property |
| η | 0.0004250 | Pa×s | 471.18 | Joback Calculated Property |
| η | 0.0002524 | Pa×s | 509.63 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 548.08 | Joback Calculated Property |
| η | 0.0001093 | Pa×s | 586.53 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 624.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-ortho-anisic acid.
Sources
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