- InChI
- InChI=1S/C7H6N2O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H
- InChI Key
- VMMLSJNPNVTYMN-UHFFFAOYSA-N
- Formula
- C7H6N2O4
- SMILES
-
O=[N+]([O-])C(c1ccccc1)[N+](=O
)[O-] - Molecular Weight1
- 182.13
- CAS
- 611-38-1
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | -3571.00 ± 5.90 | kJ/mol | NIST |
| ΔfG° | 189.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.00 ± 6.70 | kJ/mol | NIST |
| ΔfH°solid | -41.00 ± 5.90 | kJ/mol | NIST |
| ΔfusH° | 27.13 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 76.10 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 66.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 1.239 | Crippen Calculated Property | |
| McVol | 120.570 | ml/mol | McGowan Calculated Property |
| Pc | 4288.66 | kPa | Joback Calculated Property |
| Tboil | 689.48 | K | Joback Calculated Property |
| Tc | 968.07 | K | Joback Calculated Property |
| Tfus | 467.29 | K | Joback Calculated Property |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.93; 351.34] | J/mol×K | [689.48; 968.07] | 
|
| Cp,gas | 303.93 | J/mol×K | 689.48 | Joback Calculated Property |
| Cp,gas | 314.21 | J/mol×K | 735.91 | Joback Calculated Property |
| Cp,gas | 323.43 | J/mol×K | 782.34 | Joback Calculated Property |
| Cp,gas | 331.68 | J/mol×K | 828.78 | Joback Calculated Property |
| Cp,gas | 339.02 | J/mol×K | 875.21 | Joback Calculated Property |
| Cp,gas | 345.55 | J/mol×K | 921.64 | Joback Calculated Property |
| Cp,gas | 351.34 | J/mol×K | 968.07 | Joback Calculated Property |
| ΔsubH | 76.10 | kJ/mol | 317.50 | NIST |
Similar Compounds
Find more compounds similar to (Dinitromethyl)benzene.
Sources
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