- InChI
- InChI=1S/C7H7N9O21/c17-8(18)5(9(19)20,10(21)22)1-35-4(36-2-6(11(23)24,12(25)26)13(27)28)37-3-7(14(29)30,15(31)32)16(33)34/h4H,1-3H2
- InChI Key
- NWWHXKXUBVOXEX-UHFFFAOYSA-N
- Formula
- C7H7N9O21
- 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-])([N+](=O)[O-]) [N+](=O)[O-] - Molecular Weight1
- 553.18
- CAS
- 14548-59-5
- 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 | -3172.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 19.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.84 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -583.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 93.93 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 150.00 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 183.45 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | -3.228 | Crippen Calculated Property | |
| McVol | 283.880 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | 1783.25 | K | Joback Calculated Property |
| Tc | 2191.14 | K | Joback Calculated Property |
| Tfus | 1520.09 | K | Joback Calculated Property |
| Vc | 1.181 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.25; 1071.41] | J/mol×K | [1783.25; 2191.14] | 
|
| Cp,gas | 918.25 | J/mol×K | 1783.25 | Joback Calculated Property |
| Cp,gas | 932.08 | J/mol×K | 1851.23 | Joback Calculated Property |
| Cp,gas | 949.84 | J/mol×K | 1919.21 | Joback Calculated Property |
| Cp,gas | 972.08 | J/mol×K | 1987.19 | Joback Calculated Property |
| Cp,gas | 999.38 | J/mol×K | 2055.17 | Joback Calculated Property |
| Cp,gas | 1032.30 | J/mol×K | 2123.16 | Joback Calculated Property |
| Cp,gas | 1071.41 | J/mol×K | 2191.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tris(2,2,2-trinitroethyl)orthoformate.
Sources
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