- InChI
- InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)
- InChI Key
- FKIKPQHMWFZFEB-UHFFFAOYSA-N
- Formula
- C7H4Cl2O3
- SMILES
- O=C(O)c1c(Cl)ccc(Cl)c1O
- Molecular Weight1
- 207.01
- CAS
- 3401-80-7
- Other Names
-
- 3,6-dichlorosalicylic acid
- 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).
- Inp : Non-polar retention indices.
- 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° | -343.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.397 | Crippen Calculated Property | |
| McVol | 123.520 | ml/mol | McGowan Calculated Property |
| Pc | 5414.53 | kPa | Joback Calculated Property |
| Inp | [1706.00; 1706.00] |
|
|
| Inp | 1706.00 | NIST | |
| Inp | 1706.00 | NIST | |
| Tboil | 697.73 | K | Joback Calculated Property |
| Tc | 926.10 | K | Joback Calculated Property |
| Tfus | 502.42 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.58; 293.90] | J/mol×K | [697.73; 926.10] |
|
| Cp,gas | 264.58 | J/mol×K | 697.73 | Joback Calculated Property |
| Cp,gas | 270.13 | J/mol×K | 735.79 | Joback Calculated Property |
| Cp,gas | 275.33 | J/mol×K | 773.85 | Joback Calculated Property |
| Cp,gas | 280.24 | J/mol×K | 811.92 | Joback Calculated Property |
| Cp,gas | 284.93 | J/mol×K | 849.98 | Joback Calculated Property |
| Cp,gas | 289.46 | J/mol×K | 888.04 | Joback Calculated Property |
| Cp,gas | 293.90 | J/mol×K | 926.10 | Joback Calculated Property |
| η | [0.0000077; 0.0001867] | Pa×s | [502.42; 697.73] |
|
| η | 0.0001867 | Pa×s | 502.42 | Joback Calculated Property |
| η | 0.0000934 | Pa×s | 534.97 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 567.52 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 600.08 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 632.63 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 665.18 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 697.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,6-dichloro-2-hydroxy.
Sources
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