Chemical Properties of Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (CAS 552-41-0)

InChI

InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3

InChI Key

UILPJVPSNHJFIK-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COc1ccc(C(C)=O)c(O)c1

Molecular Weight¹

166.17

CAS

552-41-0

Other Names

• 1-(2-Hydroxy-4-methoxyphenyl)-ethanone
• 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one
• 2'-Hydroxy-4'-methoxyacetophenone
• 2-Hydroxy-4-methoxyacetophenone
• 2-Hydroxy-6-methoxybenzaldehyde
• Acetophenone, 2'-hydroxy-4'-methoxy-
• Paeonal
• Peonol
• Resacetophenone-4-methyl ether
• paeonol

• 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.
• I : 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

Property	Value	Unit	Source
ΔfH°gas	-450.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.29	kJ/mol	Joback Calculated Property
ΔvapH°	75.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-2.23		Relay (1.0) Calculated Property
logPoct/wat	1.603		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Inp	[1433.00; 1470.90]
Inp	1463.50		NIST
Inp	1438.00		NIST
Inp	1470.90		NIST
Inp	1438.00		NIST
Inp	1433.00		NIST
Inp	1433.00		NIST
Inp	1438.00		NIST
Inp	1451.00		NIST
Inp	1438.00		NIST
I	[2300.00; 2306.00]
I	2300.00		NIST
I	2306.00		NIST
Tboil	547.27	K	Relay (1.0) Calculated Property
Tfus	333.87	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.01; 359.51]	J/mol×K	[594.09; 822.91]
Cp,gas	303.01	J/mol×K	594.09	Joback Calculated Property
Cp,gas	314.01	J/mol×K	632.23	Joback Calculated Property
Cp,gas	324.30	J/mol×K	670.36	Joback Calculated Property
Cp,gas	333.93	J/mol×K	708.50	Joback Calculated Property
Cp,gas	342.98	J/mol×K	746.63	Joback Calculated Property
Cp,gas	351.49	J/mol×K	784.77	Joback Calculated Property
Cp,gas	359.51	J/mol×K	822.91	Joback Calculated Property
η	[0.0000380; 0.0007214]	Pa×s	[414.01; 594.09]
η	0.0007214	Pa×s	414.01	Joback Calculated Property
η	0.0003741	Pa×s	444.02	Joback Calculated Property
η	0.0002109	Pa×s	474.04	Joback Calculated Property
η	0.0001272	Pa×s	504.05	Joback Calculated Property
η	0.0000813	Pa×s	534.06	Joback Calculated Property
η	0.0000544	Pa×s	564.08	Joback Calculated Property
η	0.0000380	Pa×s	594.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-.

Mixtures

• Carbon dioxide + Ethanone, 1-(2-hydroxy-4-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
• Measurement and Correlation of Paeonol Solubility in Supercritical Carbon Dioxide
• 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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