Chemical Properties of Terephthalic acid, di(1,1,1-trifluoroprop-2-yl) ester

InChI

InChI=1S/C14H12F6O4/c1-7(13(15,16)17)23-11(21)9-3-5-10(6-4-9)12(22)24-8(2)14(18,19)20/h3-8H,1-2H3

InChI Key

YTIGQNXXAYLTFS-UHFFFAOYSA-N

Formula

C14H12F6O4

SMILES

CC(OC(=O)c1ccc(C(=O)OC(C)C(F)(F)F)cc1)C(F)(F)F

Molecular Weight¹

358.23

• 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°	-1466.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1801.55	kJ/mol	Joback Calculated Property
ΔfusH°	27.85	kJ/mol	Joback Calculated Property
ΔvapH°	59.74	kJ/mol	Joback Calculated Property
log10WS	-5.18		Crippen Calculated Property
logPoct/wat	3.902		Crippen Calculated Property
McVol	209.860	ml/mol	McGowan Calculated Property
Pc	1780.34	kPa	Joback Calculated Property
Inp	[1593.00; 1593.00]
Inp	1593.00		NIST
Inp	1593.00		NIST
Tboil	692.24	K	Joback Calculated Property
Tc	878.77	K	Joback Calculated Property
Tfus	409.18	K	Joback Calculated Property
Vc	0.834	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.09; 655.32]	J/mol×K	[692.24; 878.77]
Cp,gas	594.09	J/mol×K	692.24	Joback Calculated Property
Cp,gas	606.33	J/mol×K	723.33	Joback Calculated Property
Cp,gas	617.71	J/mol×K	754.42	Joback Calculated Property
Cp,gas	628.26	J/mol×K	785.51	Joback Calculated Property
Cp,gas	638.02	J/mol×K	816.59	Joback Calculated Property
Cp,gas	647.03	J/mol×K	847.68	Joback Calculated Property
Cp,gas	655.32	J/mol×K	878.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(1,1,1-trifluoroprop-2-yl) ester.

Sources

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

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