- InChI
- InChI=1S/C8H8N2O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3
- InChI Key
- FOWXIRIJHSFCRC-UHFFFAOYSA-N
- Formula
- C8H8N2O4
- SMILES
-
Cc1cc(C)c([N+](=O)[O-])cc1[N+]
(=O)[O-] - Molecular Weight1
- 196.16
- CAS
- 616-72-8
- Other Names
-
- Benzene, 1,5-dimethyl-2,4-dinitro-
- m-Xylene, 4,6-dinitro-
- 4,6-Dinitro-m-xylene
- 1,3-Dimethyl-4,6-dinitrobenzene
- 1,5-Dimethyl-2,4-dinitrobenzene
- 4,6-Dinitro-1,3-xylene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.6583 | Relay (... Calculated Property | |
| ΔcH°solid | -4189.40 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 171.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 12.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.79 | kJ/mol | Relay (... Calculated Property |
| IE | 9.61 | eV | Relay (... Calculated Property |
| log10WS | -3.52 | Relay (... Calculated Property | |
| logPoct/wat | 2.120 | Crippen Calculated Property | |
| McVol | 134.660 | ml/mol | McGowan Calculated Property |
| Pc | 3560.02 | kPa | Joback Calculated Property |
| Tboil | 544.39 | K | Relay (... Calculated Property |
| Tc | 818.97 | K | Relay (... Calculated Property |
| Tfus | 386.49 | K | Relay (... Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.51; 396.32] | J/mol×K | [727.74; 995.84] | 
|
| Cp,gas | 346.51 | J/mol×K | 727.74 | Joback Calculated Property |
| Cp,gas | 356.93 | J/mol×K | 772.42 | Joback Calculated Property |
| Cp,gas | 366.45 | J/mol×K | 817.11 | Joback Calculated Property |
| Cp,gas | 375.11 | J/mol×K | 861.79 | Joback Calculated Property |
| Cp,gas | 382.95 | J/mol×K | 906.47 | Joback Calculated Property |
| Cp,gas | 390.01 | J/mol×K | 951.16 | Joback Calculated Property |
| Cp,gas | 396.32 | J/mol×K | 995.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-Dinitro-1,3-dimethyl-benzene.
Sources
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