Chemical Properties of Pyrocatechol, 4-tert.-butyl, TFA-PFP

InChI

InChI=1S/C15H12F8O4/c1-12(2,3)7-4-5-8(26-11(25)14(18,19)20)9(6-7)27-10(24)13(16,17)15(21,22)23/h4-6H,1-3H3

InChI Key

GZQGVFISYTVXCI-UHFFFAOYSA-N

Formula

C15H12F8O4

SMILES

CC(C)(C)c1ccc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1

Molecular Weight¹

408.24

• 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°	-1846.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-2232.82	kJ/mol	Joback Calculated Property
ΔfusH°	28.43	kJ/mol	Joback Calculated Property
ΔvapH°	59.18	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	4.555		Crippen Calculated Property
McVol	227.490	ml/mol	McGowan Calculated Property
Pc	1539.08	kPa	Joback Calculated Property
Inp	[1286.00; 1286.00]
Inp	1286.00		NIST
Inp	1286.00		NIST
Tboil	713.06	K	Joback Calculated Property
Tc	896.87	K	Joback Calculated Property
Tfus	468.99	K	Joback Calculated Property
Vc	0.915	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.67; 723.63]	J/mol×K	[713.06; 896.87]
Cp,gas	665.67	J/mol×K	713.06	Joback Calculated Property
Cp,gas	677.34	J/mol×K	743.70	Joback Calculated Property
Cp,gas	688.13	J/mol×K	774.33	Joback Calculated Property
Cp,gas	698.10	J/mol×K	804.97	Joback Calculated Property
Cp,gas	707.29	J/mol×K	835.60	Joback Calculated Property
Cp,gas	715.78	J/mol×K	866.24	Joback Calculated Property
Cp,gas	723.63	J/mol×K	896.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pyrocatechol, 4-tert.-butyl, TFA-PFP.

Sources

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

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