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

InChI

InChI=1S/C25H35F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-33-22(31)20-14-16-21(17-15-20)23(32)34-19-24(26,27)25(28,29)30/h14-17H,2-13,18-19H2,1H3

InChI Key

GWONAVIVCYKMFT-UHFFFAOYSA-N

Formula

C25H35F5O4

SMILES

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

Molecular Weight¹

494.54

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	1.1991		Relay (1.0) Calculated Property
ΔfH°gas	-1967.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.47	kJ/mol	Joback Calculated Property
ΔvapH°	119.66	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.44		Relay (1.0) Calculated Property
logPoct/wat	7.899		Crippen Calculated Property
McVol	363.080	ml/mol	McGowan Calculated Property
Pc	826.21	kPa	Joback Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	666.39	K	Relay (1.0) Calculated Property
Tc	814.69	K	Relay (1.0) Calculated Property
Tfus	311.58	K	Relay (1.0) Calculated Property
Vc	1.363	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1201.39; 1281.86]	J/mol×K	[909.59; 1114.30]
Cp,gas	1201.39	J/mol×K	909.59	Joback Calculated Property
Cp,gas	1217.79	J/mol×K	943.71	Joback Calculated Property
Cp,gas	1232.89	J/mol×K	977.83	Joback Calculated Property
Cp,gas	1246.77	J/mol×K	1011.94	Joback Calculated Property
Cp,gas	1259.50	J/mol×K	1046.06	Joback Calculated Property
Cp,gas	1271.17	J/mol×K	1080.18	Joback Calculated Property
Cp,gas	1281.86	J/mol×K	1114.30	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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