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

InChI

InChI=1S/C17H18F6O4/c1-2-3-4-9-26-13(24)11-5-7-12(8-6-11)14(25)27-10-16(19,20)15(18)17(21,22)23/h5-8,15H,2-4,9-10H2,1H3

InChI Key

HFWAMQHOWVOQLB-UHFFFAOYSA-N

Formula

C17H18F6O4

SMILES

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

Molecular Weight¹

400.31

• 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°	-1438.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1858.19	kJ/mol	Joback Calculated Property
ΔfusH°	39.14	kJ/mol	Joback Calculated Property
ΔvapH°	66.80	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.726		Crippen Calculated Property
McVol	252.130	ml/mol	McGowan Calculated Property
Pc	1406.95	kPa	Joback Calculated Property
Inp	[2131.00; 2131.00]
Inp	2131.00		NIST
Inp	2131.00		NIST
Tboil	761.32	K	Joback Calculated Property
Tc	945.19	K	Joback Calculated Property
Tfus	457.99	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.78; 821.17]	J/mol×K	[761.32; 945.19]
Cp,gas	754.78	J/mol×K	761.32	Joback Calculated Property
Cp,gas	767.95	J/mol×K	791.97	Joback Calculated Property
Cp,gas	780.23	J/mol×K	822.61	Joback Calculated Property
Cp,gas	791.65	J/mol×K	853.26	Joback Calculated Property
Cp,gas	802.25	J/mol×K	883.90	Joback Calculated Property
Cp,gas	812.08	J/mol×K	914.55	Joback Calculated Property
Cp,gas	821.17	J/mol×K	945.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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