Chemical Properties of Ethanone, 1-(2,3,4-trihydroxyphenyl)-

InChI

InChI=1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3

InChI Key

XIROXSOOOAZHLL-UHFFFAOYSA-N

Formula

C8H8O4

SMILES

CC(=O)c1ccc(O)c(O)c1O

Molecular Weight¹

168.15

Other Names

• Gallacetophenone
• Acetophenone, 2',3',4'-trihydroxy-
• Alizarin Yellow C
• Alizarine Yellow C
• C.I. 57000
• Galloacetophenone
• 2,3,4-Trihydroxyacetophenone
• 2',3',4'-Trihydroxyacetophenone
• 4-Acetylpyrogallol
• 1-(2,3,4-Trihydroxyphenyl)ethanone
• NSC 66553

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[169.52; 369.81]	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			-5.76900e+01
Coefficient B			1.12072e+00
Coefficient C			-1.19298e-03
Coefficient D			4.99760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.52	J/mol×K	273.00	Calculated Property
Cp,gas	211.61	J/mol×K	353.78	Calculated Property
Cp,gas	245.06	J/mol×K	434.56	Calculated Property
Cp,gas	271.43	J/mol×K	515.33	Calculated Property
Cp,gas	292.32	J/mol×K	596.11	Calculated Property
Cp,gas	309.31	J/mol×K	676.89	Calculated Property
Cp,gas	323.97	J/mol×K	757.67	Calculated Property
Cp,gas	337.89	J/mol×K	838.44	Calculated Property
Cp,gas	352.64	J/mol×K	919.22	Calculated Property
Cp,gas	369.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000027; 0.0000005]	Pa×s	[591.43; 670.84]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.78442e+01
Coefficient B			8.88167e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			591.43
Temperature range, max.			670.84
η	0.0000027	Pa×s	591.43	Calculated Property
η	0.0000022	Pa×s	600.25	Calculated Property
η	0.0000017	Pa×s	609.08	Calculated Property
η	0.0000014	Pa×s	617.90	Calculated Property
η	0.0000012	Pa×s	626.72	Calculated Property
η	0.0000009	Pa×s	635.55	Calculated Property
η	0.0000008	Pa×s	644.37	Calculated Property
η	0.0000006	Pa×s	653.19	Calculated Property
η	0.0000005	Pa×s	662.02	Calculated Property
η	0.0000005	Pa×s	670.84	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(2,3,4-trihydroxyphenyl)-.

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

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