Chemical Properties of 4-Hydroxy-2-methoxybenzaldehyde, O-trifluoroacetyl-

InChI

InChI=1S/C10H7F3O4/c1-16-8-4-7(3-2-6(8)5-14)17-9(15)10(11,12)13/h2-5H,1H3

InChI Key

WECPGBCBTPZTGR-UHFFFAOYSA-N

Formula

C10H7F3O4

SMILES

COc1cc(OC(=O)C(F)(F)F)ccc1C=O

Molecular Weight¹

248.16

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

Property	Value	Unit	Source
ΔfusH°	23.01	kJ/mol	Joback Calculated Property
log10WS	-2.57		Relay (1.0) Calculated Property
logPoct/wat	1.975		Crippen Calculated Property
McVol	148.190	ml/mol	McGowan Calculated Property
Inp	[1308.00; 1308.00]
Inp	1308.00		NIST
Inp	1308.00		NIST
Tboil	522.36	K	Relay (1.0) Calculated Property
Tfus	323.44	K	Relay (1.0) Calculated Property

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, Ionization energy 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	[367.06; 419.26]	J/mol×K	[606.79; 805.18]
Cp,gas	367.06	J/mol×K	606.79	Joback Calculated Property
Cp,gas	377.32	J/mol×K	639.86	Joback Calculated Property
Cp,gas	386.94	J/mol×K	672.92	Joback Calculated Property
Cp,gas	395.93	J/mol×K	705.99	Joback Calculated Property
Cp,gas	404.31	J/mol×K	739.05	Joback Calculated Property
Cp,gas	412.08	J/mol×K	772.12	Joback Calculated Property
Cp,gas	419.26	J/mol×K	805.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-2-methoxybenzaldehyde, 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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