- InChI
- InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
- InChI Key
- GBNHEBQXJVDXSW-UHFFFAOYSA-N
- Formula
- C6H3Cl3O
- SMILES
- Oc1cc(Cl)c(Cl)c(Cl)c1
- Molecular Weight1
- 197.45
- CAS
- 609-19-8
- Other Names
-
- 3,4,5-Trichlorophenol
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -97.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 114.230 | ml/mol | McGowan Calculated Property |
| Pc | 4723.61 | kPa | Joback Calculated Property |
| Inp | [1584.00; 1643.00] |
|
|
| Inp | 1587.00 | NIST | |
| Inp | 1584.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Inp | 1596.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1587.00 | NIST | |
| I | [3028.00; 3120.00] |
|
|
| I | 3028.00 | NIST | |
| I | 3028.00 | NIST | |
| I | 3075.00 | NIST | |
| I | 3112.00 | NIST | |
| I | 3077.00 | NIST | |
| I | 3120.00 | NIST | |
| Tboil | 566.23 | K | Joback Calculated Property |
| Tc | 818.35 | K | Joback Calculated Property |
| Tfus | 410.32 | K | Joback Calculated Property |
| Vc | 0.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.55; 233.71] | J/mol×K | [566.23; 818.35] |
|
| Cp,gas | 203.55 | J/mol×K | 566.23 | Joback Calculated Property |
| Cp,gas | 209.69 | J/mol×K | 608.25 | Joback Calculated Property |
| Cp,gas | 215.28 | J/mol×K | 650.27 | Joback Calculated Property |
| Cp,gas | 220.38 | J/mol×K | 692.29 | Joback Calculated Property |
| Cp,gas | 225.09 | J/mol×K | 734.31 | Joback Calculated Property |
| Cp,gas | 229.51 | J/mol×K | 776.33 | Joback Calculated Property |
| Cp,gas | 233.71 | J/mol×K | 818.35 | Joback Calculated Property |
| η | [0.0000638; 0.0008360] | Pa×s | [410.32; 566.23] |
|
| η | 0.0008360 | Pa×s | 410.32 | Joback Calculated Property |
| η | 0.0004792 | Pa×s | 436.31 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 462.29 | Joback Calculated Property |
| η | 0.0001881 | Pa×s | 488.28 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 514.26 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 540.25 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 566.23 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 547.20 | K | 99.50 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 3,4,5-trichloro-.
Sources
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