Chemical Properties of Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester

InChI

InChI=1S/C16H16F6O4/c1-9(2)7-25-12(23)10-3-5-11(6-4-10)13(24)26-8-15(18,19)14(17)16(20,21)22/h3-6,9,14H,7-8H2,1-2H3

InChI Key

CQKXHXVUWRISSH-UHFFFAOYSA-N

Formula

C16H16F6O4

SMILES

CC(C)COC(=O)c1ccc(C(=O)OCC(F)(F)C(F)C(F)(F)F)cc1

Molecular Weight¹

386.29

• 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°	-1449.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1842.83	kJ/mol	Joback Calculated Property
ΔfusH°	33.03	kJ/mol	Joback Calculated Property
ΔvapH°	64.19	kJ/mol	Joback Calculated Property
log10WS	-5.17		Crippen Calculated Property
logPoct/wat	4.192		Crippen Calculated Property
McVol	238.040	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[1937.00; 1937.00]
Inp	1937.00		NIST
Inp	1937.00		NIST
Tboil	738.00	K	Joback Calculated Property
Tc	923.43	K	Joback Calculated Property
Tfus	431.72	K	Joback Calculated Property
Vc	0.946	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.51; 765.65]	J/mol×K	[738.00; 923.43]
Cp,gas	700.51	J/mol×K	738.00	Joback Calculated Property
Cp,gas	713.49	J/mol×K	768.90	Joback Calculated Property
Cp,gas	725.57	J/mol×K	799.81	Joback Calculated Property
Cp,gas	736.78	J/mol×K	830.71	Joback Calculated Property
Cp,gas	747.17	J/mol×K	861.62	Joback Calculated Property
Cp,gas	756.78	J/mol×K	892.52	Joback Calculated Property
Cp,gas	765.65	J/mol×K	923.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester.

Sources

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

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