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

InChI

InChI=1S/C13H13F3O4/c1-2-7-19-11(17)9-3-5-10(6-4-9)12(18)20-8-13(14,15)16/h3-6H,2,7-8H2,1H3

InChI Key

RYGTWOAJGSSVDU-UHFFFAOYSA-N

Formula

C13H13F3O4

SMILES

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

Molecular Weight¹

290.24

• 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°	-888.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1173.27	kJ/mol	Joback Calculated Property
ΔfusH°	30.48	kJ/mol	Joback Calculated Property
ΔvapH°	62.03	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	2.973		Crippen Calculated Property
McVol	190.460	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Inp	[1817.00; 1817.00]
Inp	1817.00		NIST
Inp	1817.00		NIST
Tboil	675.66	K	Joback Calculated Property
Tc	870.11	K	Joback Calculated Property
Tfus	423.72	K	Joback Calculated Property
Vc	0.747	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.50; 578.08]	J/mol×K	[675.66; 870.11]
Cp,gas	514.50	J/mol×K	675.66	Joback Calculated Property
Cp,gas	527.05	J/mol×K	708.07	Joback Calculated Property
Cp,gas	538.79	J/mol×K	740.48	Joback Calculated Property
Cp,gas	549.75	J/mol×K	772.88	Joback Calculated Property
Cp,gas	559.93	J/mol×K	805.29	Joback Calculated Property
Cp,gas	569.37	J/mol×K	837.70	Joback Calculated Property
Cp,gas	578.08	J/mol×K	870.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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