Chemical Properties of Terephthalic acid, butyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C15H15F5O4/c1-2-3-8-23-12(21)10-4-6-11(7-5-10)13(22)24-9-14(16,17)15(18,19)20/h4-7H,2-3,8-9H2,1H3

InChI Key

FFFXDDUPDDWSFA-UHFFFAOYSA-N

Formula

C15H15F5O4

SMILES

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

Molecular Weight¹

354.27

• 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°	-1258.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1615.52	kJ/mol	Joback Calculated Property
ΔfusH°	34.40	kJ/mol	Joback Calculated Property
ΔvapH°	63.56	kJ/mol	Joback Calculated Property
log10WS	-5.03		Crippen Calculated Property
logPoct/wat	3.998		Crippen Calculated Property
McVol	222.180	ml/mol	McGowan Calculated Property
Pc	1683.79	kPa	Joback Calculated Property
Inp	[1785.00; 1785.00]
Inp	1785.00		NIST
Inp	1785.00		NIST
Tboil	716.73	K	Joback Calculated Property
Tc	903.33	K	Joback Calculated Property
Tfus	449.86	K	Joback Calculated Property
Vc	0.883	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.78; 701.83]	J/mol×K	[716.73; 903.33]
Cp,gas	637.78	J/mol×K	716.73	Joback Calculated Property
Cp,gas	650.49	J/mol×K	747.83	Joback Calculated Property
Cp,gas	662.33	J/mol×K	778.93	Joback Calculated Property
Cp,gas	673.35	J/mol×K	810.03	Joback Calculated Property
Cp,gas	683.58	J/mol×K	841.13	Joback Calculated Property
Cp,gas	693.06	J/mol×K	872.23	Joback Calculated Property
Cp,gas	701.83	J/mol×K	903.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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