Chemical Properties of p-Hydroxyphenylpropionic acid, TFA-ME

InChI

InChI=1S/C12H11F3O4/c1-18-10(16)7-4-8-2-5-9(6-3-8)19-11(17)12(13,14)15/h2-3,5-6H,4,7H2,1H3

InChI Key

LYFORWVQNRLTOQ-UHFFFAOYSA-N

Formula

C12H11F3O4

SMILES

COC(=O)CCc1ccc(OC(=O)C(F)(F)F)cc1

Molecular Weight¹

276.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-896.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1152.63	kJ/mol	Joback Calculated Property
ΔfusH°	27.89	kJ/mol	Joback Calculated Property
ΔvapH°	59.81	kJ/mol	Joback Calculated Property
log10WS	-2.95		Crippen Calculated Property
logPoct/wat	2.260		Crippen Calculated Property
McVol	176.370	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[1430.00; 1430.00]
Inp	1430.00		NIST
Inp	1430.00		NIST
Tboil	652.78	K	Joback Calculated Property
Tc	849.33	K	Joback Calculated Property
Tfus	412.45	K	Joback Calculated Property
Vc	0.691	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.91; 524.75]	J/mol×K	[652.78; 849.33]
Cp,gas	463.91	J/mol×K	652.78	Joback Calculated Property
Cp,gas	475.93	J/mol×K	685.54	Joback Calculated Property
Cp,gas	487.17	J/mol×K	718.30	Joback Calculated Property
Cp,gas	497.66	J/mol×K	751.06	Joback Calculated Property
Cp,gas	507.40	J/mol×K	783.81	Joback Calculated Property
Cp,gas	516.43	J/mol×K	816.57	Joback Calculated Property
Cp,gas	524.75	J/mol×K	849.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Hydroxyphenylpropionic acid, TFA-ME.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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