Chemical Properties of 2'-Hydroxy-4'-methoxyacetophenone, O-trifluoroacetyl-

InChI

InChI=1S/C11H9F3O4/c1-6(15)8-4-3-7(17-2)5-9(8)18-10(16)11(12,13)14/h3-5H,1-2H3

InChI Key

UPBZUPRKPZBFFA-UHFFFAOYSA-N

Formula

C11H9F3O4

SMILES

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

Molecular Weight¹

262.18

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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

Property	Value	Unit	Source
ΔfH°gas	-1211.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.49	kJ/mol	Joback Calculated Property
logPoct/wat	2.366		Crippen Calculated Property
McVol	162.280	ml/mol	McGowan Calculated Property
Inp	[1472.00; 1472.00]
Inp	1472.00		NIST
Inp	1472.00		NIST
Tboil	524.77	K	Relay (1.0) Calculated Property
Tfus	303.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[410.57; 468.55]	J/mol×K	[617.01; 814.73]
Cp,gas	410.57	J/mol×K	617.01	Joback Calculated Property
Cp,gas	422.07	J/mol×K	649.96	Joback Calculated Property
Cp,gas	432.81	J/mol×K	682.92	Joback Calculated Property
Cp,gas	442.81	J/mol×K	715.87	Joback Calculated Property
Cp,gas	452.10	J/mol×K	748.82	Joback Calculated Property
Cp,gas	460.67	J/mol×K	781.78	Joback Calculated Property
Cp,gas	468.55	J/mol×K	814.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2'-Hydroxy-4'-methoxyacetophenone, O-trifluoroacetyl-.

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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