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

InChI

InChI=1S/C15H15F5O4/c1-9(2)7-23-12(21)10-3-5-11(6-4-10)13(22)24-8-14(16,17)15(18,19)20/h3-6,9H,7-8H2,1-2H3

InChI Key

INMXNBCTWFWDSB-UHFFFAOYSA-N

Formula

C15H15F5O4

SMILES

CC(C)COC(=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°	-1260.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1620.80	kJ/mol	Joback Calculated Property
ΔfusH°	30.88	kJ/mol	Joback Calculated Property
ΔvapH°	63.17	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	3.854		Crippen Calculated Property
McVol	222.180	ml/mol	McGowan Calculated Property
Pc	1694.90	kPa	Joback Calculated Property
Inp	[1928.00; 1928.00]
Inp	1928.00		NIST
Inp	1928.00		NIST
Tboil	716.29	K	Joback Calculated Property
Tc	905.39	K	Joback Calculated Property
Tfus	434.86	K	Joback Calculated Property
Vc	0.877	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.33; 703.07]	J/mol×K	[716.29; 905.39]
Cp,gas	638.33	J/mol×K	716.29	Joback Calculated Property
Cp,gas	651.23	J/mol×K	747.81	Joback Calculated Property
Cp,gas	663.23	J/mol×K	779.32	Joback Calculated Property
Cp,gas	674.37	J/mol×K	810.84	Joback Calculated Property
Cp,gas	684.70	J/mol×K	842.35	Joback Calculated Property
Cp,gas	694.25	J/mol×K	873.87	Joback Calculated Property
Cp,gas	703.07	J/mol×K	905.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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