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

InChI

InChI=1S/C15H17F3O4/c1-2-3-4-9-21-13(19)11-5-7-12(8-6-11)14(20)22-10-15(16,17)18/h5-8H,2-4,9-10H2,1H3

InChI Key

UQHZIHSHGMHNKB-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

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

Molecular Weight¹

318.29

• 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°	-871.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1214.55	kJ/mol	Joback Calculated Property
ΔfusH°	35.66	kJ/mol	Joback Calculated Property
ΔvapH°	66.49	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	3.753		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[2024.00; 2024.00]
Inp	2024.00		NIST
Inp	2024.00		NIST
Tboil	721.42	K	Joback Calculated Property
Tc	912.88	K	Joback Calculated Property
Tfus	446.26	K	Joback Calculated Property
Vc	0.859	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[619.55; 687.57]	J/mol×K	[721.42; 912.88]
Cp,gas	619.55	J/mol×K	721.42	Joback Calculated Property
Cp,gas	632.98	J/mol×K	753.33	Joback Calculated Property
Cp,gas	645.53	J/mol×K	785.24	Joback Calculated Property
Cp,gas	657.25	J/mol×K	817.15	Joback Calculated Property
Cp,gas	668.14	J/mol×K	849.06	Joback Calculated Property
Cp,gas	678.24	J/mol×K	880.97	Joback Calculated Property
Cp,gas	687.57	J/mol×K	912.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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