- InChI
- InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
- InChI Key
- VBHKTXLEJZIDJF-UHFFFAOYSA-N
- Formula
- C14H8O6
- SMILES
-
O=C1c2ccc(O)c(O)c2C(=O)c2c(O)c
cc(O)c21 - Molecular Weight1
- 272.21
- CAS
- 81-61-8
- Other Names
-
- Anthraquinone, 1,2,5,8-tetrahydroxy-
- Alizarinbordeaux
- Alizarine Bordeaux
- Alizarine Bordeaux B
- C.I. Mordant Violet 26
- C.I. 58500
- Khinalizarin
- Quinalizarin
- Quinalizarine
- 1,2,5,8-Tetrahydroxy-9,10-anthraquinone
- 1,2,5,8-Tetrahydroxyanthraquinone
- Alizarin Bordeaux BD
- 1,2,5,8-Tetrahydroxyanthracinon
- 1,4,5,6-Tetrahydroxyanthraquinone
- NSC 144046
- 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 | 1.0622 | Relay (... Calculated Property | |
| ΔfG° | -510.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -3.03 | Relay (... Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 176.360 | ml/mol | McGowan Calculated Property |
| Pc | 7887.21 | kPa | Joback Calculated Property |
| Tboil | 647.06 | K | Relay (... Calculated Property |
| Tc | 1131.32 | K | Relay (... Calculated Property |
| Tfus | 509.52 | K | Relay (... Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.79; 733.52] | J/mol×K | [1048.30; 1337.97] | 
|
| Cp,gas | 574.79 | J/mol×K | 1048.30 | Joback Calculated Property |
| Cp,gas | 593.84 | J/mol×K | 1096.58 | Joback Calculated Property |
| Cp,gas | 615.29 | J/mol×K | 1144.86 | Joback Calculated Property |
| Cp,gas | 639.57 | J/mol×K | 1193.14 | Joback Calculated Property |
| Cp,gas | 667.09 | J/mol×K | 1241.41 | Joback Calculated Property |
| Cp,gas | 698.26 | J/mol×K | 1289.69 | Joback Calculated Property |
| Cp,gas | 733.52 | J/mol×K | 1337.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-.
Sources
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