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

InChI

InChI=1S/C17H19F5O4/c1-2-3-4-5-10-25-14(23)12-6-8-13(9-7-12)15(24)26-11-16(18,19)17(20,21)22/h6-9H,2-5,10-11H2,1H3

InChI Key

SXYABEMETNGUAK-UHFFFAOYSA-N

Formula

C17H19F5O4

SMILES

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

Molecular Weight¹

382.32

• 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°	-1241.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1656.80	kJ/mol	Joback Calculated Property
ΔfusH°	39.58	kJ/mol	Joback Calculated Property
ΔvapH°	68.01	kJ/mol	Joback Calculated Property
log10WS	-5.86		Crippen Calculated Property
logPoct/wat	4.778		Crippen Calculated Property
McVol	250.360	ml/mol	McGowan Calculated Property
Pc	1446.83	kPa	Joback Calculated Property
Inp	[1992.00; 1992.00]
Inp	1992.00		NIST
Inp	1992.00		NIST
Tboil	762.49	K	Joback Calculated Property
Tc	948.89	K	Joback Calculated Property
Tfus	472.40	K	Joback Calculated Property
Vc	0.996	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[746.53; 814.31]	J/mol×K	[762.49; 948.89]
Cp,gas	746.53	J/mol×K	762.49	Joback Calculated Property
Cp,gas	759.95	J/mol×K	793.56	Joback Calculated Property
Cp,gas	772.47	J/mol×K	824.62	Joback Calculated Property
Cp,gas	784.12	J/mol×K	855.69	Joback Calculated Property
Cp,gas	794.95	J/mol×K	886.76	Joback Calculated Property
Cp,gas	805.00	J/mol×K	917.83	Joback Calculated Property
Cp,gas	814.31	J/mol×K	948.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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