- InChI
- InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)10-6(16(23)24)2-4-8(18)12(10)13(9)19/h1-4,17-18H
- InChI Key
- CUIHODIOWPLCMG-UHFFFAOYSA-N
- Formula
- C14H6N2O8
- SMILES
-
O=C1c2c(O)ccc([N+](=O)[O-])c2C
(=O)c2c(O)ccc([N+](=O)[O-])c21 - Molecular Weight1
- 330.21
- CAS
- 128-91-6
- Other Names
-
- 1,5-dihydroxy-4,8-dinitroanthraquinone
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0893 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.690 | Crippen Calculated Property | |
| McVol | 199.460 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Tboil | 656.64 | K | Relay (1.0) Calculated Property |
| Tc | 1132.13 | K | Relay (1.0) Calculated Property |
| Tfus | 515.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.51; 773.98] | J/mol×K | [1200.70; 1507.79] | 
|
| Cp,gas | 653.51 | J/mol×K | 1200.70 | Joback Calculated Property |
| Cp,gas | 669.31 | J/mol×K | 1251.88 | Joback Calculated Property |
| Cp,gas | 686.45 | J/mol×K | 1303.06 | Joback Calculated Property |
| Cp,gas | 705.21 | J/mol×K | 1354.25 | Joback Calculated Property |
| Cp,gas | 725.87 | J/mol×K | 1405.43 | Joback Calculated Property |
| Cp,gas | 748.70 | J/mol×K | 1456.61 | Joback Calculated Property |
| Cp,gas | 773.98 | J/mol×K | 1507.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthrarufin, 4,8-dinitro.
Sources
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