- InChI
- InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
- InChI Key
- WBNZUUIFTPNYRN-UHFFFAOYSA-N
- Formula
- C7H5Cl2NO2
- SMILES
- Cc1c(Cl)ccc([N+](=O)[O-])c1Cl
- Molecular Weight1
- 206.03
- CAS
- 29682-46-0
- Other Names
-
- Benzene, 1,3-dichloro-2-methyl-4-nitro-
- 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° | 103.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -27.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.210 | Crippen Calculated Property | |
| McVol | 127.630 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Tboil | 627.88 | K | Joback Calculated Property |
| Tc | 887.04 | K | Joback Calculated Property |
| Tfus | 436.08 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.32; 303.31] | J/mol×K | [627.88; 887.04] | 
|
| Cp,gas | 260.32 | J/mol×K | 627.88 | Joback Calculated Property |
| Cp,gas | 269.10 | J/mol×K | 671.07 | Joback Calculated Property |
| Cp,gas | 277.20 | J/mol×K | 714.27 | Joback Calculated Property |
| Cp,gas | 284.64 | J/mol×K | 757.46 | Joback Calculated Property |
| Cp,gas | 291.45 | J/mol×K | 800.65 | Joback Calculated Property |
| Cp,gas | 297.66 | J/mol×K | 843.84 | Joback Calculated Property |
| Cp,gas | 303.31 | J/mol×K | 887.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dichloro-3-nitrotoluene.
Sources
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