- InChI
- InChI=1S/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25/h1-9,21,23-24H
- InChI Key
- DYALWCKAJBVSBZ-UHFFFAOYSA-N
- Formula
- C20H12N2O6
- SMILES
-
O=C1c2c(O)ccc(Nc3ccccc3)c2C(=O
)c2c([N+](=O)[O-])ccc(O)c21 - Molecular Weight1
- 376.32
- CAS
- 20241-76-3
- Other Names
-
- 1,8-dihydroxy-4-nitro-5-(phenylamino)anthraquinone
- 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° | 67.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 3.525 | Crippen Calculated Property | |
| McVol | 252.800 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 1262.99 | K | Joback Calculated Property |
| Tc | 1566.20 | K | Joback Calculated Property |
| Tfus | 1026.35 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.44; 1025.47] | J/mol×K | [1262.99; 1566.20] | 
|
| Cp,gas | 871.44 | J/mol×K | 1262.99 | Joback Calculated Property |
| Cp,gas | 891.69 | J/mol×K | 1313.53 | Joback Calculated Property |
| Cp,gas | 913.66 | J/mol×K | 1364.06 | Joback Calculated Property |
| Cp,gas | 937.69 | J/mol×K | 1414.60 | Joback Calculated Property |
| Cp,gas | 964.11 | J/mol×K | 1465.13 | Joback Calculated Property |
| Cp,gas | 993.26 | J/mol×K | 1515.67 | Joback Calculated Property |
| Cp,gas | 1025.47 | J/mol×K | 1566.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chrysazin, 4-anilino-5-nitro.
Sources
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