Chemical Properties of Hydroquinone, 2-trifluoroacetyl, TFA-PFP

InChI

InChI=1S/C13H3F11O5/c14-10(15,13(22,23)24)8(26)29-6-2-1-4(28-9(27)12(19,20)21)3-5(6)7(25)11(16,17)18/h1-3H

InChI Key

NIRJNJAMZLJKKS-UHFFFAOYSA-N

Formula

C13H3F11O5

SMILES

O=C(Oc1ccc(OC(=O)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c1)C(F)(F)F

Molecular Weight¹

448.14

• 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°	-2576.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-2892.45	kJ/mol	Joback Calculated Property
ΔfusH°	34.09	kJ/mol	Joback Calculated Property
ΔvapH°	59.02	kJ/mol	Joback Calculated Property
log10WS	-5.48		Crippen Calculated Property
logPoct/wat	4.002		Crippen Calculated Property
McVol	206.190	ml/mol	McGowan Calculated Property
Pc	1694.90	kPa	Joback Calculated Property
Inp	[1173.00; 1173.00]
Inp	1173.00		NIST
Inp	1173.00		NIST
Tboil	718.98	K	Joback Calculated Property
Tc	895.63	K	Joback Calculated Property
Tfus	498.15	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.63; 638.46]	J/mol×K	[718.98; 895.63]
Cp,gas	598.63	J/mol×K	718.98	Joback Calculated Property
Cp,gas	606.94	J/mol×K	748.42	Joback Calculated Property
Cp,gas	614.52	J/mol×K	777.86	Joback Calculated Property
Cp,gas	621.41	J/mol×K	807.31	Joback Calculated Property
Cp,gas	627.66	J/mol×K	836.75	Joback Calculated Property
Cp,gas	633.33	J/mol×K	866.19	Joback Calculated Property
Cp,gas	638.46	J/mol×K	895.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hydroquinone, 2-trifluoroacetyl, TFA-PFP.

Sources

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

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