- InChI
- InChI=1S/C6H3Cl3O2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
- InChI Key
- FUTDYIMYZIMPBJ-UHFFFAOYSA-N
- Formula
- C6H3Cl3O2
- SMILES
- Oc1cc(Cl)c(Cl)c(Cl)c1O
- Molecular Weight1
- 213.45
- CAS
- 56961-20-7
- Other Names
-
- 3,4,5-Trichloro-benzene-1,2-diol
- 3,4,5-Trichloro-1,2-benzenediol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.6756 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.058 | Crippen Calculated Property | |
| McVol | 120.100 | ml/mol | McGowan Calculated Property |
| Pc | 5862.92 | kPa | Joback Calculated Property |
| Tboil | 553.36 | K | Relay (1.0) Calculated Property |
| Tc | 878.03 | K | Relay (1.0) Calculated Property |
| Tfus | 393.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.68; 262.10] | J/mol×K | [646.85; 908.14] | 
|
| Cp,gas | 234.68 | J/mol×K | 646.85 | Joback Calculated Property |
| Cp,gas | 239.58 | J/mol×K | 690.40 | Joback Calculated Property |
| Cp,gas | 244.13 | J/mol×K | 733.95 | Joback Calculated Property |
| Cp,gas | 248.49 | J/mol×K | 777.49 | Joback Calculated Property |
| Cp,gas | 252.83 | J/mol×K | 821.04 | Joback Calculated Property |
| Cp,gas | 257.32 | J/mol×K | 864.59 | Joback Calculated Property |
| Cp,gas | 262.10 | J/mol×K | 908.14 | Joback Calculated Property |
| η | [0.0000048; 0.0000504] | Pa×s | [522.04; 646.85] |
|
| η | 0.0000504 | Pa×s | 522.04 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 542.84 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 563.64 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 584.45 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 605.25 | Joback Calculated Property |
| η | 0.0000067 | Pa×s | 626.05 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 646.85 | Joback Calculated Property |
| ΔvapH | 79.30 | kJ/mol | 308.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Benzenediol, 3,4,5-trichloro-.
Sources
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