Chemical Properties of 2,5-Dihydroxyacetophenone, diacetate

InChI

InChI=1S/C12H12O5/c1-7(13)11-6-10(16-8(2)14)4-5-12(11)17-9(3)15/h4-6H,1-3H3

InChI Key

WVFRSEBQKWXPNT-UHFFFAOYSA-N

Formula

C12H12O5

SMILES

CC(=O)Oc1ccc(OC(C)=O)c(C(C)=O)c1

Molecular Weight¹

236.22

• 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).
• I_np : Non-polar retention indices.
• 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, 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	[241.49; 519.05]	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			4.48500e+01
Coefficient B			8.08360e-01
Coefficient C			-3.18220e-04
Coefficient D			-1.59400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.49	J/mol×K	273.00	Calculated Property
Cp,gas	290.30	J/mol×K	353.78	Calculated Property
Cp,gas	334.73	J/mol×K	434.56	Calculated Property
Cp,gas	374.73	J/mol×K	515.33	Calculated Property
Cp,gas	410.27	J/mol×K	596.11	Calculated Property
Cp,gas	441.27	J/mol×K	676.89	Calculated Property
Cp,gas	467.71	J/mol×K	757.67	Calculated Property
Cp,gas	489.51	J/mol×K	838.44	Calculated Property
Cp,gas	506.65	J/mol×K	919.22	Calculated Property
Cp,gas	519.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012125; 0.0001623]	Pa×s	[411.05; 627.40]	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			-1.25462e+01
Coefficient B			2.39689e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			411.05
Temperature range, max.			627.40
η	0.0012125	Pa×s	411.05	Calculated Property
η	0.0008785	Pa×s	435.09	Calculated Property
η	0.0006584	Pa×s	459.13	Calculated Property
η	0.0005078	Pa×s	483.17	Calculated Property
η	0.0004014	Pa×s	507.21	Calculated Property
η	0.0003241	Pa×s	531.24	Calculated Property
η	0.0002666	Pa×s	555.28	Calculated Property
η	0.0002229	Pa×s	579.32	Calculated Property
η	0.0001890	Pa×s	603.36	Calculated Property
η	0.0001623	Pa×s	627.40	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dihydroxyacetophenone, diacetate.

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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