- InChI
- InChI=1S/C7H5ClN2O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3
- InChI Key
- JMDVARRGYWIJGZ-UHFFFAOYSA-N
- Formula
- C7H5ClN2O4
- SMILES
-
Cc1cc([N+](=O)[O-])c(Cl)c([N+]
(=O)[O-])c1 - Molecular Weight1
- 216.58
- CAS
- 5264-65-3
- Other Names
-
- 4-chloro-3,5-dinitrotoluene
- 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° | 150.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -22.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 2.465 | Crippen Calculated Property | |
| McVol | 132.810 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| Tboil | 742.29 | K | Joback Calculated Property |
| Tc | 1018.71 | K | Joback Calculated Property |
| Tfus | 549.77 | K | Joback Calculated Property |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.87; 355.42] | J/mol×K | [742.29; 1018.71] | 
|
| Cp,gas | 315.87 | J/mol×K | 742.29 | Joback Calculated Property |
| Cp,gas | 324.39 | J/mol×K | 788.36 | Joback Calculated Property |
| Cp,gas | 332.09 | J/mol×K | 834.43 | Joback Calculated Property |
| Cp,gas | 338.99 | J/mol×K | 880.50 | Joback Calculated Property |
| Cp,gas | 345.16 | J/mol×K | 926.57 | Joback Calculated Property |
| Cp,gas | 350.62 | J/mol×K | 972.64 | Joback Calculated Property |
| Cp,gas | 355.42 | J/mol×K | 1018.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-chloro-5-methyl-1,3-dinitro-.
Sources
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