Chemical Properties of Ethanone, 1-(2,5-dihydroxyphenyl)- (CAS 490-78-8)

InChI

InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3

InChI Key

WLDWSGZHNBANIO-UHFFFAOYSA-N

Formula

C8H8O3

SMILES

CC(=O)c1cc(O)ccc1O

Molecular Weight¹

152.15

CAS

490-78-8

Other Names

• 1-(2,5-Dihydroxyphenyl)ethanone
• 1-Acetyl-2,5-dihydroxybenzene
• 2',5'-Dihydroxyacetophenone
• 2,5-Dihydroxy-1-acetylbenzene
• 2,5-Dihydroxyacetophenone
• 2-Acetylhydroquinone
• Acetophenone, 2',5'-dihydroxy-
• Acetylhydroquinone
• NSC 3759
• Quinacetophenone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.64; 347.39]	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			-4.87700e+01
Coefficient B			9.66120e-01
Coefficient C			-9.36620e-04
Coefficient D			3.66660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.64	J/mol×K	273.00	Calculated Property
Cp,gas	192.03	J/mol×K	353.78	Calculated Property
Cp,gas	224.28	J/mol×K	434.56	Calculated Property
Cp,gas	250.55	J/mol×K	515.33	Calculated Property
Cp,gas	271.99	J/mol×K	596.11	Calculated Property
Cp,gas	289.76	J/mol×K	676.89	Calculated Property
Cp,gas	305.03	J/mol×K	757.67	Calculated Property
Cp,gas	318.95	J/mol×K	838.44	Calculated Property
Cp,gas	332.68	J/mol×K	919.22	Calculated Property
Cp,gas	347.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001275; 0.0000076]	Pa×s	[479.71; 609.08]	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			-2.22441e+01
Coefficient B			6.36889e+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.			479.71
Temperature range, max.			609.08
η	0.0001275	Pa×s	479.71	Calculated Property
η	0.0000866	Pa×s	494.08	Calculated Property
η	0.0000602	Pa×s	508.46	Calculated Property
η	0.0000426	Pa×s	522.83	Calculated Property
η	0.0000308	Pa×s	537.21	Calculated Property
η	0.0000226	Pa×s	551.58	Calculated Property
η	0.0000169	Pa×s	565.96	Calculated Property
η	0.0000128	Pa×s	580.33	Calculated Property
η	0.0000098	Pa×s	594.70	Calculated Property
η	0.0000076	Pa×s	609.08	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(2,5-dihydroxyphenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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