- InChI
- InChI=1S/C6H8F2N8O13/c7-5(11(17)18,12(19)20)1-9(15(25)26)3-29-4-10(16(27)28)2-6(8,13(21)22)14(23)24/h1-4H2
- InChI Key
- QGCZQMUQUNUTBO-UHFFFAOYSA-N
- Formula
- C6H8F2N8O13
- SMILES
-
O=[N+]([O-])N(COCN(CC(F)([N+](
=O)[O-])[N+](=O)[O-])[N+](=O)[ O-])CC(F)([N+](=O)[O-])[N+](=O )[O-] - Molecular Weight1
- 438.17
- CAS
- 29414-46-8
- 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).
- 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 | -3199.10 ± 3.30 | kJ/mol | NIST |
| ΔfG° | -54.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.61 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -664.40 ± 3.30 | kJ/mol | NIST |
| ΔfusH° | 78.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | -1.741 | Crippen Calculated Property | |
| McVol | 229.290 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Tboil | 1287.10 | K | Joback Calculated Property |
| Tc | 1582.40 | K | Joback Calculated Property |
| Tfus | 1112.23 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.90; 815.28] | J/mol×K | [1287.10; 1582.40] | 
|
| Cp,gas | 756.90 | J/mol×K | 1287.10 | Joback Calculated Property |
| Cp,gas | 763.90 | J/mol×K | 1336.32 | Joback Calculated Property |
| Cp,gas | 771.66 | J/mol×K | 1385.53 | Joback Calculated Property |
| Cp,gas | 780.42 | J/mol×K | 1434.75 | Joback Calculated Property |
| Cp,gas | 790.44 | J/mol×K | 1483.97 | Joback Calculated Property |
| Cp,gas | 801.98 | J/mol×K | 1533.18 | Joback Calculated Property |
| Cp,gas | 815.28 | J/mol×K | 1582.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane).
Sources
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