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

• 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°	-1173.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1821.92	kJ/mol	Joback Calculated Property
ΔfusH°	60.30	kJ/mol	Joback Calculated Property
ΔvapH°	85.82	kJ/mol	Joback Calculated Property
log10WS	-9.21		Crippen Calculated Property
logPoct/wat	7.899		Crippen Calculated Property
McVol	363.080	ml/mol	McGowan Calculated Property
Pc	866.58	kPa	Joback Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	945.53	K	Joback Calculated Property
Tc	1159.44	K	Joback Calculated Property
Tfus	562.56	K	Joback Calculated Property
Vc	1.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1216.06; 1298.50]	J/mol×K	[945.53; 1159.44]
Cp,gas	1216.06	J/mol×K	945.53	Joback Calculated Property
Cp,gas	1232.63	J/mol×K	981.18	Joback Calculated Property
Cp,gas	1247.95	J/mol×K	1016.83	Joback Calculated Property
Cp,gas	1262.10	J/mol×K	1052.49	Joback Calculated Property
Cp,gas	1275.19	J/mol×K	1088.14	Joback Calculated Property
Cp,gas	1287.29	J/mol×K	1123.79	Joback Calculated Property
Cp,gas	1298.50	J/mol×K	1159.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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