- InChI
- InChI=1S/C10H6N2O8S/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17/h1-4,13H,(H,18,19,20)
- InChI Key
- FCQJEPASRCXVCB-UHFFFAOYSA-N
- Formula
- C10H6N2O8S
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c2ccc(S(=O)(=O)O)cc2c1O - Molecular Weight1
- 314.23
- CAS
- 483-84-1
- Other Names
-
- 2,4-Dinitro-1-naphthol-7-sulfonic acid
- 2,4-Dinitronaphtholsulfonic acid
- 2-Naphthalenesulfonic acid, 5,7-dinitro-8-hydroxy-
- 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-
- 8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid
- 8-hydroxy-5,7-dinitronaphthalene-2-sulphonic acid
- DNNS
- 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° | -465.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.27 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Aq. Sol... | |
| logPoct/wat | 1.609 | Crippen Calculated Property | |
| McVol | 183.210 | ml/mol | McGowan Calculated Property |
| Pc | 6642.18 | kPa | Joback Calculated Property |
| Tboil | 1013.06 | K | Joback Calculated Property |
| Tc | 1269.83 | K | Joback Calculated Property |
| Tfus | 797.46 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.67; 561.63] | J/mol×K | [1013.06; 1269.83] | 
|
| Cp,gas | 521.67 | J/mol×K | 1013.06 | Joback Calculated Property |
| Cp,gas | 528.34 | J/mol×K | 1055.86 | Joback Calculated Property |
| Cp,gas | 534.83 | J/mol×K | 1098.65 | Joback Calculated Property |
| Cp,gas | 541.29 | J/mol×K | 1141.45 | Joback Calculated Property |
| Cp,gas | 547.83 | J/mol×K | 1184.24 | Joback Calculated Property |
| Cp,gas | 554.57 | J/mol×K | 1227.04 | Joback Calculated Property |
| Cp,gas | 561.63 | J/mol×K | 1269.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Flavianic acid.
Sources
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