- InChI
- InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
- InChI Key
- LYPMXMBQPXPNIQ-UHFFFAOYSA-N
- Formula
- C6H3Cl2NO3
- SMILES
- O=[N+]([O-])c1cc(Cl)cc(Cl)c1O
- Molecular Weight1
- 208.00
- CAS
- 609-89-2
- Other Names
-
- 2,4-Dichloro-6-nitrophenol
- 2-Nitro-4,6-dichlorophenol
- 2,4-Dichlor-6-nitrofenol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -50.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.607 | Crippen Calculated Property | |
| McVol | 119.410 | ml/mol | McGowan Calculated Property |
| Pc | 5058.59 | kPa | Joback Calculated Property |
| Tboil | 680.64 | K | Joback Calculated Property |
| Tc | 952.91 | K | Joback Calculated Property |
| Tfus | 524.01 | K | Joback Calculated Property |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.14; 284.20] | J/mol×K | [680.64; 952.91] | 
|
| Cp,gas | 251.14 | J/mol×K | 680.64 | Joback Calculated Property |
| Cp,gas | 257.55 | J/mol×K | 726.02 | Joback Calculated Property |
| Cp,gas | 263.45 | J/mol×K | 771.40 | Joback Calculated Property |
| Cp,gas | 268.94 | J/mol×K | 816.77 | Joback Calculated Property |
| Cp,gas | 274.16 | J/mol×K | 862.15 | Joback Calculated Property |
| Cp,gas | 279.21 | J/mol×K | 907.53 | Joback Calculated Property |
| Cp,gas | 284.20 | J/mol×K | 952.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4-dichloro-6-nitro-.
Sources
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