- InChI
- InChI=1S/C7H5Cl3O/c1-3-6(10)4(8)2-5(9)7(3)11/h2,11H,1H3
- InChI Key
- IAGVLEMVUDJCJS-UHFFFAOYSA-N
- Formula
- C7H5Cl3O
- SMILES
- Cc1c(O)c(Cl)cc(Cl)c1Cl
- Molecular Weight1
- 211.47
- CAS
- 643-14-1
- Other Names
-
- 3,4,6-Trichloro-O-cresol
- 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 | 0.5441 | Relay (... Calculated Property | |
| ΔfG° | -98.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -3.13 | Relay (... Calculated Property | |
| logPoct/wat | 3.661 | Crippen Calculated Property | |
| McVol | 128.320 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| Tboil | 521.36 | K | Relay (... Calculated Property |
| Tc | 813.62 | K | Relay (... Calculated Property |
| Tfus | 362.10 | K | Relay (... Calculated Property |
| Vc | 0.453 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.92; 280.47] | J/mol×K | [594.09; 841.74] | 
|
| Cp,gas | 243.92 | J/mol×K | 594.09 | Joback Calculated Property |
| Cp,gas | 251.08 | J/mol×K | 635.37 | Joback Calculated Property |
| Cp,gas | 257.71 | J/mol×K | 676.64 | Joback Calculated Property |
| Cp,gas | 263.89 | J/mol×K | 717.92 | Joback Calculated Property |
| Cp,gas | 269.69 | J/mol×K | 759.19 | Joback Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 800.47 | Joback Calculated Property |
| Cp,gas | 280.47 | J/mol×K | 841.74 | Joback Calculated Property |
| η | [0.0000482; 0.0005333] | Pa×s | [434.11; 594.09] |
|
| η | 0.0005333 | Pa×s | 434.11 | Joback Calculated Property |
| η | 0.0003181 | Pa×s | 460.77 | Joback Calculated Property |
| η | 0.0002008 | Pa×s | 487.44 | Joback Calculated Property |
| η | 0.0001329 | Pa×s | 514.10 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 540.76 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 567.43 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 594.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Cresol, 3,4,6-trichloro-.
Sources
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