- InChI
- InChI=1S/C9H10N2O4/c1-5-4-6(2)9(11(14)15)7(3)8(5)10(12)13/h4H,1-3H3
- InChI Key
- OFMLQCPPVSVIDD-UHFFFAOYSA-N
- Formula
- C9H10N2O4
- SMILES
-
Cc1cc(C)c([N+](=O)[O-])c(C)c1[
N+](=O)[O-] - Molecular Weight1
- 210.19
- CAS
- 608-50-4
- Other Names
-
- Mesitylene, 2,4-dinitro-
- Dinitromesitylene
- 2,4-Dinitromesitylene
- 2,4-Dinitro-1,3,5-trimethylbenzene
- 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 | 0.6789 | Relay (... Calculated Property | |
| ΔfG° | 169.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.37 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -3.89 | Relay (... Calculated Property | |
| logPoct/wat | 2.428 | Crippen Calculated Property | |
| McVol | 148.750 | ml/mol | McGowan Calculated Property |
| Pc | 3131.49 | kPa | Joback Calculated Property |
| Tboil | 549.18 | K | Relay (... Calculated Property |
| Tc | 833.84 | K | Relay (... Calculated Property |
| Tfus | 358.00 ± 2.00 | K | NIST |
| Vc | 0.520 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.95; 448.12] | J/mol×K | [755.60; 1018.02] | 
|
| Cp,gas | 394.95 | J/mol×K | 755.60 | Joback Calculated Property |
| Cp,gas | 405.99 | J/mol×K | 799.34 | Joback Calculated Property |
| Cp,gas | 416.12 | J/mol×K | 843.07 | Joback Calculated Property |
| Cp,gas | 425.36 | J/mol×K | 886.81 | Joback Calculated Property |
| Cp,gas | 433.76 | J/mol×K | 930.55 | Joback Calculated Property |
| Cp,gas | 441.34 | J/mol×K | 974.29 | Joback Calculated Property |
| Cp,gas | 448.12 | J/mol×K | 1018.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3,5-trimethyl-2,4-dinitro-.
Sources
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