- InChI
- InChI=1S/C10H12N2O4/c1-5-6(2)9(11(13)14)8(4)10(7(5)3)12(15)16/h1-4H3
- InChI Key
- NYUTYKUIBRNYIV-UHFFFAOYSA-N
- Formula
- C10H12N2O4
- SMILES
-
Cc1c(C)c([N+](=O)[O-])c(C)c([N
+](=O)[O-])c1C - Molecular Weight1
- 224.21
- CAS
- 4674-22-0
- Other Names
-
- Dinitroisodurene
- 1,3-Dinitro-2,4,5,6-tetramethylbenzene
- 4,6-Dinitro-1,2,3,5-tetramethylbenzene
- Tetramethyl-1,3-dinitrobenzene
- 1,2,3,5-Tetramethyl-4,6-dinitrobenzene
- 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 | 0.6851 | Relay (... Calculated Property | |
| ΔfG° | 168.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.85 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -4.10 | Relay (... Calculated Property | |
| logPoct/wat | 2.737 | Crippen Calculated Property | |
| McVol | 162.840 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Tboil | 555.68 | K | Relay (... Calculated Property |
| Tc | 854.12 | K | Relay (... Calculated Property |
| Tfus | 480.65 ± 2.00 | K | NIST |
| Vc | 0.570 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.82; 500.73] | J/mol×K | [783.46; 1040.66] | 
|
| Cp,gas | 444.82 | J/mol×K | 783.46 | Joback Calculated Property |
| Cp,gas | 456.38 | J/mol×K | 826.33 | Joback Calculated Property |
| Cp,gas | 467.02 | J/mol×K | 869.19 | Joback Calculated Property |
| Cp,gas | 476.75 | J/mol×K | 912.06 | Joback Calculated Property |
| Cp,gas | 485.60 | J/mol×K | 954.93 | Joback Calculated Property |
| Cp,gas | 493.58 | J/mol×K | 997.79 | Joback Calculated Property |
| Cp,gas | 500.73 | J/mol×K | 1040.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3,5-tetramethyl-4,6-dinitro-.
Sources
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