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

InChI

InChI=1S/C22H29F5O4/c1-2-3-4-5-6-7-8-9-10-15-30-19(28)17-11-13-18(14-12-17)20(29)31-16-21(23,24)22(25,26)27/h11-14H,2-10,15-16H2,1H3

InChI Key

JLIOXZXJZQFDKT-UHFFFAOYSA-N

Formula

C22H29F5O4

SMILES

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

Molecular Weight¹

452.46

• 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	1.0884		Relay (1.0) Calculated Property
ΔfH°gas	-1909.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.70	kJ/mol	Joback Calculated Property
ΔvapH°	107.29	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.64		Relay (1.0) Calculated Property
logPoct/wat	6.729		Crippen Calculated Property
McVol	320.810	ml/mol	McGowan Calculated Property
Pc	982.08	kPa	Joback Calculated Property
Inp	[2472.00; 2472.00]
Inp	2472.00		NIST
Inp	2472.00		NIST
Tboil	642.40	K	Relay (1.0) Calculated Property
Tc	788.12	K	Relay (1.0) Calculated Property
Tfus	306.19	K	Relay (1.0) Calculated Property
Vc	1.202	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	[1021.32; 1097.26]	J/mol×K	[840.95; 1031.02]
Cp,gas	1021.32	J/mol×K	840.95	Joback Calculated Property
Cp,gas	1036.62	J/mol×K	872.63	Joback Calculated Property
Cp,gas	1050.78	J/mol×K	904.31	Joback Calculated Property
Cp,gas	1063.87	J/mol×K	935.98	Joback Calculated Property
Cp,gas	1075.94	J/mol×K	967.66	Joback Calculated Property
Cp,gas	1087.05	J/mol×K	999.34	Joback Calculated Property
Cp,gas	1097.26	J/mol×K	1031.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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