- InChI
- InChI=1S/C9H8N12O28/c22-10(23)5(11(24)25,12(26)27)1-46-9(47-2-6(13(28)29,14(30)31)15(32)33,48-3-7(16(34)35,17(36)37)18(38)39)49-4-8(19(40)41,20(42)43)21(44)45/h1-4H2
- InChI Key
- JPTHXHQVODRICI-UHFFFAOYSA-N
- Formula
- C9H8N12O28
- SMILES
-
O=[N+]([O-])C(COC(OCC([N+](=O)
[O-])([N+](=O)[O-])[N+](=O)[O- ])(OCC([N+](=O)[O-])([N+](=O)[ O-])[N+](=O)[O-])OCC([N+](=O)[ O-])([N+](=O)[O-])[N+](=O)[O-] )([N+](=O)[O-])[N+](=O)[O-] - Molecular Weight1
- 732.22
- CAS
- 14548-58-4
- 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).
- 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 | -3918.00 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 45.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.84 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -766.90 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 123.08 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 179.00 | kJ/mol | NIST |
| ΔvapH° | 237.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | -4.400 | Crippen Calculated Property | |
| McVol | 370.190 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Tboil | 2300.93 | K | Joback Calculated Property |
| Tc | 2991.35 | K | Joback Calculated Property |
| Tfus | 2015.53 | K | Joback Calculated Property |
| Vc | 1.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1752.99; 3683.46] | J/mol×K | [2300.93; 2991.35] | 
|
| Cp,gas | 1752.99 | J/mol×K | 2300.93 | Joback Calculated Property |
| Cp,gas | 1953.54 | J/mol×K | 2416.00 | Joback Calculated Property |
| Cp,gas | 2196.79 | J/mol×K | 2531.07 | Joback Calculated Property |
| Cp,gas | 2487.08 | J/mol×K | 2646.14 | Joback Calculated Property |
| Cp,gas | 2828.73 | J/mol×K | 2761.21 | Joback Calculated Property |
| Cp,gas | 3226.08 | J/mol×K | 2876.28 | Joback Calculated Property |
| Cp,gas | 3683.46 | J/mol×K | 2991.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetrabis(2,2,2-trinitroethyl(orthocarbonate.
Sources
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