- InChI
- InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
- InChI Key
- BBNQQADTFFCFGB-UHFFFAOYSA-N
- Formula
- C14H8O5
- SMILES
-
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(
O)c21 - Molecular Weight1
- 256.21
- CAS
- 81-54-9
- Other Names
-
- Anthraquinone, 1,2,4-trihydroxy-
- C.I. 58205
- C.I. 75410
- Hydroxylizaric acid
- Purpurin
- Purpurine
- Smoke Brown G
- Verantin
- 1,2,4-Trihydroxyanthraquinone
- 1,2,4-Trihydroxy-9,10-anthraquinone
- 1,2,4-Trihydroxyanthrachinon
- C.I. 1037
- 1,2,4-Trihydroxy-9,10-anthracenedione
- 4-Hydroxyalizarin
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.9609 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5866.40 | kJ/mol | NIST |
| ΔfG° | -355.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.579 | Crippen Calculated Property | |
| McVol | 170.490 | ml/mol | McGowan Calculated Property |
| Pc | 6151.48 | kPa | Joback Calculated Property |
| Tboil | 644.77 | K | Relay (1.0) Calculated Property |
| Tc | 1086.35 | K | Relay (1.0) Calculated Property |
| Tfus | 538.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.95; 630.61] | J/mol×K | [967.68; 1254.11] | 
|
| Cp,gas | 525.95 | J/mol×K | 967.68 | Joback Calculated Property |
| Cp,gas | 539.88 | J/mol×K | 1015.42 | Joback Calculated Property |
| Cp,gas | 554.79 | J/mol×K | 1063.16 | Joback Calculated Property |
| Cp,gas | 571.00 | J/mol×K | 1110.89 | Joback Calculated Property |
| Cp,gas | 588.83 | J/mol×K | 1158.63 | Joback Calculated Property |
| Cp,gas | 608.60 | J/mol×K | 1206.37 | Joback Calculated Property |
| Cp,gas | 630.61 | J/mol×K | 1254.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Anthracenedione, 1,2,4-trihydroxy-.
Sources
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