- InChI
- InChI=1S/C6H4Cl3NO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H,10H2
- InChI Key
- QQDKXJSYZGJGKJ-UHFFFAOYSA-N
- Formula
- C6H4Cl3NO
- SMILES
- Nc1c(O)c(Cl)cc(Cl)c1Cl
- Molecular Weight1
- 212.46
- CAS
- 6358-15-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.6369 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.935 | Crippen Calculated Property | |
| McVol | 124.210 | ml/mol | McGowan Calculated Property |
| Pc | 5008.59 | kPa | Joback Calculated Property |
| Tboil | 555.52 | K | Relay (1.0) Calculated Property |
| Tc | 878.72 | K | Relay (1.0) Calculated Property |
| Tfus | 413.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.86; 273.92] | J/mol×K | [643.74; 903.52] | 
|
| Cp,gas | 242.86 | J/mol×K | 643.74 | Joback Calculated Property |
| Cp,gas | 248.85 | J/mol×K | 687.04 | Joback Calculated Property |
| Cp,gas | 254.40 | J/mol×K | 730.33 | Joback Calculated Property |
| Cp,gas | 259.59 | J/mol×K | 773.63 | Joback Calculated Property |
| Cp,gas | 264.52 | J/mol×K | 816.93 | Joback Calculated Property |
| Cp,gas | 269.26 | J/mol×K | 860.23 | Joback Calculated Property |
| Cp,gas | 273.92 | J/mol×K | 903.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-3,4,6-trichlorophenol.
Sources
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