- InChI
- InChI=1S/C7H6N4O6/c1-8(11(16)17)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3
- InChI Key
- BUGRLMJGTJHURD-UHFFFAOYSA-N
- Formula
- C7H6N4O6
- SMILES
-
CN(c1ccc([N+](=O)[O-])cc1[N+](
=O)[O-])[N+](=O)[O-] - Molecular Weight1
- 242.15
- CAS
- 19092-03-6
- 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).
- ΔfH°solid : Solid phase 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 | 0.7747 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3628.20 ± 3.70 | kJ/mol | NIST |
| ΔfG° | 318.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 116.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 16.20 ± 3.70 | kJ/mol | NIST |
| ΔfusH° | 44.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.131 | Crippen Calculated Property | |
| McVol | 147.970 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Tboil | 560.43 | K | Relay (1.0) Calculated Property |
| Tc | 890.03 | K | Relay (1.0) Calculated Property |
| Tfus | 386.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.43; 447.54] | J/mol×K | [864.16; 1147.85] | 
|
| Cp,gas | 412.43 | J/mol×K | 864.16 | Joback Calculated Property |
| Cp,gas | 420.28 | J/mol×K | 911.44 | Joback Calculated Property |
| Cp,gas | 427.21 | J/mol×K | 958.72 | Joback Calculated Property |
| Cp,gas | 433.31 | J/mol×K | 1006.01 | Joback Calculated Property |
| Cp,gas | 438.67 | J/mol×K | 1053.29 | Joback Calculated Property |
| Cp,gas | 443.38 | J/mol×K | 1100.57 | Joback Calculated Property |
| Cp,gas | 447.54 | J/mol×K | 1147.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dinitrophenylmethylnitramine.
Sources
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