- InChI
- InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
- InChI Key
- APAJFZPFBHMFQR-UHFFFAOYSA-N
- Formula
- C14H8O4
- SMILES
-
O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc
21 - Molecular Weight1
- 240.21
- CAS
- 84-60-6
- Other Names
-
- 2,6-Dihydroxyanthraquinone
- 9,10-Anthracenedione, 2,6-dihydroxy-
- Anthraflavin
- Anthraquinone, 2,6-dihydroxy-
- NSC-33531
- 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° | -201.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 1.873 | Crippen Calculated Property | |
| McVol | 164.620 | ml/mol | McGowan Calculated Property |
| Pc | 4931.51 | kPa | Joback Calculated Property |
| Tboil | 887.06 | K | Joback Calculated Property |
| Tc | 1170.41 | K | Joback Calculated Property |
| Tfus | 711.00 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.36; 559.27] | J/mol×K | [887.06; 1170.41] | 
|
| Cp,gas | 484.36 | J/mol×K | 887.06 | Joback Calculated Property |
| Cp,gas | 496.32 | J/mol×K | 934.29 | Joback Calculated Property |
| Cp,gas | 508.20 | J/mol×K | 981.51 | Joback Calculated Property |
| Cp,gas | 520.20 | J/mol×K | 1028.74 | Joback Calculated Property |
| Cp,gas | 532.57 | J/mol×K | 1075.96 | Joback Calculated Property |
| Cp,gas | 545.52 | J/mol×K | 1123.19 | Joback Calculated Property |
| Cp,gas | 559.27 | J/mol×K | 1170.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthraflavic acid.
Sources
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