Chemical Properties of p-Hydroxyphenyllactic acid, TFA-ME

InChI

InChI=1S/C14H10F6O6/c1-24-10(21)9(26-12(23)14(18,19)20)6-7-2-4-8(5-3-7)25-11(22)13(15,16)17/h2-5,9H,6H2,1H3

InChI Key

IUGBOWODUMJWOJ-UHFFFAOYSA-N

Formula

C14H10F6O6

SMILES

COC(=O)C(Cc1ccc(OC(=O)C(F)(F)F)cc1)OC(=O)C(F)(F)F

Molecular Weight¹

388.22

• 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°	-1697.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-2041.07	kJ/mol	Joback Calculated Property
ΔfusH°	34.16	kJ/mol	Joback Calculated Property
ΔvapH°	69.28	kJ/mol	Joback Calculated Property
log10WS	-3.42		Crippen Calculated Property
logPoct/wat	2.344		Crippen Calculated Property
McVol	217.300	ml/mol	McGowan Calculated Property
Pc	1838.84	kPa	Joback Calculated Property
Inp	[1445.00; 1445.00]
Inp	1445.00		NIST
Inp	1445.00		NIST
Tboil	768.97	K	Joback Calculated Property
Tc	960.49	K	Joback Calculated Property
Tfus	496.34	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.39; 681.71]	J/mol×K	[768.97; 960.49]
Cp,gas	632.39	J/mol×K	768.97	Joback Calculated Property
Cp,gas	642.65	J/mol×K	800.89	Joback Calculated Property
Cp,gas	652.06	J/mol×K	832.81	Joback Calculated Property
Cp,gas	660.64	J/mol×K	864.73	Joback Calculated Property
Cp,gas	668.42	J/mol×K	896.65	Joback Calculated Property
Cp,gas	675.44	J/mol×K	928.57	Joback Calculated Property
Cp,gas	681.71	J/mol×K	960.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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