Chemical Properties of Acetophenone, 2',4'-dihydroxy-2-(p-methoxyphenyl)-

InChI

InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3

InChI Key

XHBZOAYMBBUURD-UHFFFAOYSA-N

Formula

C15H14O4

SMILES

COc1ccc(CC(=O)c2ccc(O)cc2O)cc1

Molecular Weight¹

258.27

• 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).
• 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_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, 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	[261.83; 605.46]	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			-4.92390e+01
Coefficient B			1.42952e+00
Coefficient C			-1.17058e-03
Coefficient D			3.95760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.83	J/mol×K	273.00	Calculated Property
Cp,gas	327.51	J/mol×K	353.78	Calculated Property
Cp,gas	383.39	J/mol×K	434.56	Calculated Property
Cp,gas	430.73	J/mol×K	515.33	Calculated Property
Cp,gas	470.78	J/mol×K	596.11	Calculated Property
Cp,gas	504.79	J/mol×K	676.89	Calculated Property
Cp,gas	534.01	J/mol×K	757.67	Calculated Property
Cp,gas	559.70	J/mol×K	838.44	Calculated Property
Cp,gas	583.10	J/mol×K	919.22	Calculated Property
Cp,gas	605.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000077; 0.0000009]	Pa×s	[619.77; 763.05]	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			-2.32840e+01
Coefficient B			7.13226e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			619.77
Temperature range, max.			763.05
η	0.0000077	Pa×s	619.77	Calculated Property
η	0.0000058	Pa×s	635.69	Calculated Property
η	0.0000044	Pa×s	651.61	Calculated Property
η	0.0000034	Pa×s	667.53	Calculated Property
η	0.0000026	Pa×s	683.45	Calculated Property
η	0.0000021	Pa×s	699.37	Calculated Property
η	0.0000017	Pa×s	715.29	Calculated Property
η	0.0000013	Pa×s	731.21	Calculated Property
η	0.0000011	Pa×s	747.13	Calculated Property
η	0.0000009	Pa×s	763.05	Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, 2',4'-dihydroxy-2-(p-methoxyphenyl)-.

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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