Chemical Properties of 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione

InChI

InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2

InChI Key

YDQWDHRMZQUTBA-UHFFFAOYSA-N

Formula

C15H10O5

SMILES

O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21

Molecular Weight¹

270.24

Other Names

• 1,8-dihydroxy-3-hydroxymethylanthraquinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.03; 580.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.64090e+01
Coefficient B			1.28610e+00
Coefficient C			-1.03060e-03
Coefficient D			3.51000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.03	J/mol×K	273.00	Calculated Property
Cp,gas	315.14	J/mol×K	353.78	Calculated Property
Cp,gas	366.66	J/mol×K	434.56	Calculated Property
Cp,gas	410.70	J/mol×K	515.33	Calculated Property
Cp,gas	448.38	J/mol×K	596.11	Calculated Property
Cp,gas	480.80	J/mol×K	676.89	Calculated Property
Cp,gas	509.07	J/mol×K	757.67	Calculated Property
Cp,gas	534.30	J/mol×K	838.44	Calculated Property
Cp,gas	557.60	J/mol×K	919.22	Calculated Property
Cp,gas	580.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione.

Mixtures

• Water + 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
• Methyl Alcohol + 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
• Ethanol + 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
• 1-Propanol + 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
• 1-Butanol + 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
• 1-Pentanol + 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
• 2-Butanol + 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Experimental measurement and correlation of the solubility of aloe-emodin in seven pure solvents
• Solubility of Aloe-Emodin in Five Imidazolium-Based Ionic Liquids
• Joback Method
• McGowan Method

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