- InChI
- InChI=1S/C16H10N4O12/c21-15(9-3-11(17(23)24)7-12(4-9)18(25)26)31-1-2-32-16(22)10-5-13(19(27)28)8-14(6-10)20(29)30/h3-8H,1-2H2
- InChI Key
- FKERDMUSSICEEN-UHFFFAOYSA-N
- Formula
- C16H10N4O12
- SMILES
-
O=C(OCCOC(=O)c1cc([N+](=O)[O-]
)cc([N+](=O)[O-])c1)c1cc([N+]( =O)[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 450.27
- CAS
- 60317-39-7
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -55.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.09 | kJ/mol | Joback Calculated Property |
| log10WS | -6.21 | Crippen Calculated Property | |
| logPoct/wat | 2.333 | Crippen Calculated Property | |
| McVol | 273.340 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Tboil | 1398.70 | K | Joback Calculated Property |
| Tc | 1713.74 | K | Joback Calculated Property |
| Tfus | 1091.76 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.08; 808.88] | J/mol×K | [1398.70; 1713.74] | 
|
| Cp,gas | 808.88 | J/mol×K | 1398.70 | Joback Calculated Property |
| Cp,gas | 801.66 | J/mol×K | 1451.21 | Joback Calculated Property |
| Cp,gas | 792.58 | J/mol×K | 1503.71 | Joback Calculated Property |
| Cp,gas | 781.72 | J/mol×K | 1556.22 | Joback Calculated Property |
| Cp,gas | 769.13 | J/mol×K | 1608.73 | Joback Calculated Property |
| Cp,gas | 754.89 | J/mol×K | 1661.24 | Joback Calculated Property |
| Cp,gas | 739.08 | J/mol×K | 1713.74 | Joback Calculated Property |
Similar Compounds
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Sources
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