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

InChI

InChI=1S/C14H15F3O4/c1-2-3-8-20-12(18)10-4-6-11(7-5-10)13(19)21-9-14(15,16)17/h4-7H,2-3,8-9H2,1H3

InChI Key

VIPRVCQDHMFMRC-UHFFFAOYSA-N

Formula

C14H15F3O4

SMILES

CCCCOC(=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°	-879.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1193.91	kJ/mol	Joback Calculated Property
ΔfusH°	33.07	kJ/mol	Joback Calculated Property
ΔvapH°	64.26	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	3.363		Crippen Calculated Property
McVol	204.550	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[1921.00; 1921.00]
Inp	1921.00		NIST
Inp	1921.00		NIST
Tboil	698.54	K	Joback Calculated Property
Tc	891.27	K	Joback Calculated Property
Tfus	434.99	K	Joback Calculated Property
Vc	0.802	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.41; 632.36]	J/mol×K	[698.54; 891.27]
Cp,gas	566.41	J/mol×K	698.54	Joback Calculated Property
Cp,gas	579.43	J/mol×K	730.66	Joback Calculated Property
Cp,gas	591.60	J/mol×K	762.78	Joback Calculated Property
Cp,gas	602.96	J/mol×K	794.91	Joback Calculated Property
Cp,gas	613.52	J/mol×K	827.03	Joback Calculated Property
Cp,gas	623.32	J/mol×K	859.15	Joback Calculated Property
Cp,gas	632.36	J/mol×K	891.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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