Chemical Properties of Ethanone, 1-(2-hydroxy-6-methoxyphenyl)- (CAS 703-23-1)

InChI

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

InChI Key

UENLHUMCIOWYQN-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COc1cccc(O)c1C(C)=O

Molecular Weight¹

166.17

CAS

703-23-1

Other Names

• Acetophenone, 2'-hydroxy-6'-methoxy-
• 2-Hydroxy-6-methoxyacetophenone
• 2'-Hydroxy 6'-methoxyacetophenone
• 6'-Hydroxy-2'-methoxyacetophenone
• 1-(2-Hydroxy-6-methoxy-phenyl)-ethanone
• 1-(2-hydroxy-6-methoxyphenyl)ethan-1-one

• 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_boilr : Boiling point at reduced pressure (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	-438.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.29	kJ/mol	Joback Calculated Property
ΔvapH°	71.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-2.01		Relay (1.0) Calculated Property
logPoct/wat	1.603		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Inp	[1402.00; 1423.00]
Inp	1422.70		NIST
Inp	1402.00		NIST
Inp	1423.00		NIST
Tboil	543.24	K	Relay (1.0) Calculated Property
Tfus	317.07	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	[302.95; 359.45]	J/mol×K	[593.89; 822.63]
Cp,gas	302.95	J/mol×K	593.89	Joback Calculated Property
Cp,gas	313.95	J/mol×K	632.01	Joback Calculated Property
Cp,gas	324.24	J/mol×K	670.14	Joback Calculated Property
Cp,gas	333.88	J/mol×K	708.26	Joback Calculated Property
Cp,gas	342.92	J/mol×K	746.38	Joback Calculated Property
Cp,gas	351.43	J/mol×K	784.51	Joback Calculated Property
Cp,gas	359.45	J/mol×K	822.63	Joback Calculated Property
η	[0.0000381; 0.0007214]	Pa×s	[414.01; 593.89]
η	0.0007214	Pa×s	414.01	Joback Calculated Property
η	0.0003744	Pa×s	443.99	Joback Calculated Property
η	0.0002111	Pa×s	473.97	Joback Calculated Property
η	0.0001274	Pa×s	503.95	Joback Calculated Property
η	0.0000814	Pa×s	533.93	Joback Calculated Property
η	0.0000546	Pa×s	563.91	Joback Calculated Property
η	0.0000381	Pa×s	593.89	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Ethanone, 1-(2-hydroxy-6-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

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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