Chemical Properties of Terephthalic acid, isobutyl 2,2,2-trifluoroethyl ester

InChI

InChI=1S/C14H15F3O4/c1-9(2)7-20-12(18)10-3-5-11(6-4-10)13(19)21-8-14(15,16)17/h3-6,9H,7-8H2,1-2H3

InChI Key

VEHMUKMFUJJRAV-UHFFFAOYSA-N

Formula

C14H15F3O4

SMILES

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

Molecular Weight¹

304.26

• 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°	-882.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1199.19	kJ/mol	Joback Calculated Property
ΔfusH°	29.54	kJ/mol	Joback Calculated Property
ΔvapH°	63.87	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.219		Crippen Calculated Property
McVol	204.550	ml/mol	McGowan Calculated Property
Pc	1954.41	kPa	Joback Calculated Property
Inp	[1878.00; 1878.00]
Inp	1878.00		NIST
Inp	1878.00		NIST
Tboil	698.10	K	Joback Calculated Property
Tc	893.80	K	Joback Calculated Property
Tfus	419.99	K	Joback Calculated Property
Vc	0.796	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.95; 633.74]	J/mol×K	[698.10; 893.80]
Cp,gas	566.95	J/mol×K	698.10	Joback Calculated Property
Cp,gas	580.19	J/mol×K	730.72	Joback Calculated Property
Cp,gas	592.55	J/mol×K	763.33	Joback Calculated Property
Cp,gas	604.06	J/mol×K	795.95	Joback Calculated Property
Cp,gas	614.75	J/mol×K	828.57	Joback Calculated Property
Cp,gas	624.63	J/mol×K	861.18	Joback Calculated Property
Cp,gas	633.74	J/mol×K	893.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, isobutyl 2,2,2-trifluoroethyl ester.

Sources

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

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