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

InChI

InChI=1S/C23H30F6O4/c1-2-3-4-5-6-7-8-9-10-15-32-19(30)17-11-13-18(14-12-17)20(31)33-16-22(25,26)21(24)23(27,28)29/h11-14,21H,2-10,15-16H2,1H3

InChI Key

GITHLSUDMPWXIN-UHFFFAOYSA-N

Formula

C23H30F6O4

SMILES

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

Molecular Weight¹

484.47

• 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°	-1387.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1982.03	kJ/mol	Joback Calculated Property
ΔfusH°	54.68	kJ/mol	Joback Calculated Property
ΔvapH°	80.16	kJ/mol	Joback Calculated Property
log10WS	-8.34		Crippen Calculated Property
logPoct/wat	7.067		Crippen Calculated Property
McVol	336.670	ml/mol	McGowan Calculated Property
Pc	951.42	kPa	Joback Calculated Property
Inp	[1648.00; 1648.00]
Inp	1648.00		NIST
Inp	1648.00		NIST
Tboil	898.60	K	Joback Calculated Property
Tc	1100.20	K	Joback Calculated Property
Tfus	525.61	K	Joback Calculated Property
Vc	1.343	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1102.05; 1179.12]	J/mol×K	[898.60; 1100.20]
Cp,gas	1102.05	J/mol×K	898.60	Joback Calculated Property
Cp,gas	1117.50	J/mol×K	932.20	Joback Calculated Property
Cp,gas	1131.82	J/mol×K	965.80	Joback Calculated Property
Cp,gas	1145.06	J/mol×K	999.40	Joback Calculated Property
Cp,gas	1157.32	J/mol×K	1033.00	Joback Calculated Property
Cp,gas	1168.64	J/mol×K	1066.60	Joback Calculated Property
Cp,gas	1179.12	J/mol×K	1100.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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