Chemical Properties of Terephthalic acid, di(2,2,2-trifluoroethyl) ester

InChI

InChI=1S/C12H8F6O4/c13-11(14,15)5-21-9(19)7-1-2-8(4-3-7)10(20)22-6-12(16,17)18/h1-4H,5-6H2

InChI Key

ZHFJNGPLSHPUSW-UHFFFAOYSA-N

Formula

C12H8F6O4

SMILES

O=C(OCC(F)(F)F)c1ccc(C(=O)OCC(F)(F)F)cc1

Molecular Weight¹

330.18

• 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°	-1478.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1749.71	kJ/mol	Joback Calculated Property
ΔfusH°	29.71	kJ/mol	Joback Calculated Property
ΔvapH°	56.06	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	3.125		Crippen Calculated Property
McVol	181.680	ml/mol	McGowan Calculated Property
Pc	2077.43	kPa	Joback Calculated Property
Inp	[1570.00; 1570.00]
Inp	1570.00		NIST
Inp	1570.00		NIST
Tboil	647.36	K	Joback Calculated Property
Tc	830.71	K	Joback Calculated Property
Tfus	416.64	K	Joback Calculated Property
Vc	0.734	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.43; 546.14]	J/mol×K	[647.36; 830.71]
Cp,gas	491.43	J/mol×K	647.36	Joback Calculated Property
Cp,gas	502.34	J/mol×K	677.92	Joback Calculated Property
Cp,gas	512.49	J/mol×K	708.48	Joback Calculated Property
Cp,gas	521.91	J/mol×K	739.03	Joback Calculated Property
Cp,gas	530.64	J/mol×K	769.59	Joback Calculated Property
Cp,gas	538.71	J/mol×K	800.15	Joback Calculated Property
Cp,gas	546.14	J/mol×K	830.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(2,2,2-trifluoroethyl) ester.

Sources

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

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