- InChI
- InChI=1S/C5H6FN5O12/c6-4(7(12)13,8(14)15)1-22-3-23-2-5(9(16)17,10(18)19)11(20)21/h1-3H2
- InChI Key
- AEKWETJEQDKAET-UHFFFAOYSA-N
- Formula
- C5H6FN5O12
- SMILES
-
O=[N+]([O-])C(F)(COCOCC([N+](=
O)[O-])([N+](=O)[O-])[N+](=O)[ O-])[N+](=O)[O-] - Molecular Weight1
- 347.13
- CAS
- 30893-52-8
- ΔcH°liquid : Standard liquid 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°liquid : Liquid 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°liquid | -2419.10 ± 2.90 | kJ/mol | NIST |
| ΔfG° | -230.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.38 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -642.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 56.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | -1.362 | Crippen Calculated Property | |
| McVol | 181.920 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Tboil | 1110.65 | K | Joback Calculated Property |
| Tc | 1397.84 | K | Joback Calculated Property |
| Tfus | 914.05 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.04; 579.64] | J/mol×K | [1110.65; 1397.84] | 
|
| Cp,gas | 566.04 | J/mol×K | 1110.65 | Joback Calculated Property |
| Cp,gas | 569.36 | J/mol×K | 1158.52 | Joback Calculated Property |
| Cp,gas | 572.10 | J/mol×K | 1206.38 | Joback Calculated Property |
| Cp,gas | 574.37 | J/mol×K | 1254.25 | Joback Calculated Property |
| Cp,gas | 576.30 | J/mol×K | 1302.11 | Joback Calculated Property |
| Cp,gas | 578.02 | J/mol×K | 1349.98 | Joback Calculated Property |
| Cp,gas | 579.64 | J/mol×K | 1397.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methane,(2-fluoro-2,2-dinitroethoxy)(2,2,2-trinitroethoxy)-.
Sources
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