Chemical Properties of 1-methoxyanthraquinone (CAS 82-39-3)

InChI

InChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3

InChI Key

CQGDBBBZCJYDRY-UHFFFAOYSA-N

Formula

C15H10O3

SMILES

COc1cccc2c1C(=O)c1ccccc1C2=O

Molecular Weight¹

238.24

CAS

82-39-3

Other Names

• 1-Methoxy-9,10-anthraquinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.16; 535.08]	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			1.16400e+01
Coefficient B			8.79720e-01
Coefficient C			-3.76480e-04
Coefficient D			2.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.16	J/mol×K	273.00	Calculated Property
Cp,gas	276.64	J/mol×K	353.78	Calculated Property
Cp,gas	324.49	J/mol×K	434.56	Calculated Property
Cp,gas	367.77	J/mol×K	515.33	Calculated Property
Cp,gas	406.55	J/mol×K	596.11	Calculated Property
Cp,gas	440.88	J/mol×K	676.89	Calculated Property
Cp,gas	470.84	J/mol×K	757.67	Calculated Property
Cp,gas	496.48	J/mol×K	838.44	Calculated Property
Cp,gas	517.87	J/mol×K	919.22	Calculated Property
Cp,gas	535.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-methoxyanthraquinone.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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