- InChI
- InChI=1S/C8H7ClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key
- LWOKLXMNGXXORN-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- Cc1cccc(C(=O)O)c1Cl
- Molecular Weight1
- 170.59
- CAS
- 15068-35-6
- 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).
- 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° | -168.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.69 | Crippen Calculated Property | |
| logPoct/wat | 2.347 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Tboil | 602.56 | K | Joback Calculated Property |
| Tc | 814.98 | K | Joback Calculated Property |
| Tfus | 372.05 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.09; 298.86] | J/mol×K | [602.56; 814.98] | 
|
| Cp,gas | 256.09 | J/mol×K | 602.56 | Joback Calculated Property |
| Cp,gas | 264.46 | J/mol×K | 637.96 | Joback Calculated Property |
| Cp,gas | 272.30 | J/mol×K | 673.37 | Joback Calculated Property |
| Cp,gas | 279.65 | J/mol×K | 708.77 | Joback Calculated Property |
| Cp,gas | 286.51 | J/mol×K | 744.17 | Joback Calculated Property |
| Cp,gas | 292.91 | J/mol×K | 779.58 | Joback Calculated Property |
| Cp,gas | 298.86 | J/mol×K | 814.98 | Joback Calculated Property |
| η | [0.0001036; 0.0025922] | Pa×s | [372.05; 602.56] |
|
| η | 0.0025922 | Pa×s | 372.05 | Joback Calculated Property |
| η | 0.0011790 | Pa×s | 410.47 | Joback Calculated Property |
| η | 0.0006137 | Pa×s | 448.89 | Joback Calculated Property |
| η | 0.0003540 | Pa×s | 487.30 | Joback Calculated Property |
| η | 0.0002214 | Pa×s | 525.72 | Joback Calculated Property |
| η | 0.0001475 | Pa×s | 564.14 | Joback Calculated Property |
| η | 0.0001036 | Pa×s | 602.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-3-methylbenzoic acid.
Sources
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