- InChI
- InChI=1S/C6H3FN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H
- InChI Key
- MDOWEUXXLVBZIU-UHFFFAOYSA-N
- Formula
- C6H3FN2O5
- SMILES
-
O=[N+]([O-])c1cc(F)cc([N+](=O)
[O-])c1O - Molecular Weight1
- 202.10
- CAS
- 364-32-9
- 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° | -185.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 1.348 | Crippen Calculated Property | |
| McVol | 114.120 | ml/mol | McGowan Calculated Property |
| Pc | 5367.04 | kPa | Joback Calculated Property |
| Tboil | 756.89 | K | Joback Calculated Property |
| Tc | 1030.09 | K | Joback Calculated Property |
| Tfus | 608.37 | K | Joback Calculated Property |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.53; 330.00] | J/mol×K | [756.89; 1030.09] | 
|
| Cp,gas | 293.53 | J/mol×K | 756.89 | Joback Calculated Property |
| Cp,gas | 300.38 | J/mol×K | 802.42 | Joback Calculated Property |
| Cp,gas | 306.76 | J/mol×K | 847.96 | Joback Calculated Property |
| Cp,gas | 312.79 | J/mol×K | 893.49 | Joback Calculated Property |
| Cp,gas | 318.60 | J/mol×K | 939.02 | Joback Calculated Property |
| Cp,gas | 324.29 | J/mol×K | 984.56 | Joback Calculated Property |
| Cp,gas | 330.00 | J/mol×K | 1030.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-dinitro-4-fluoro-.
Sources
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