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

• 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°	-1199.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1760.00	kJ/mol	Joback Calculated Property
ΔfusH°	52.53	kJ/mol	Joback Calculated Property
ΔvapH°	79.14	kJ/mol	Joback Calculated Property
log10WS	-7.96		Crippen Calculated Property
logPoct/wat	6.729		Crippen Calculated Property
McVol	320.810	ml/mol	McGowan Calculated Property
Pc	1034.57	kPa	Joback Calculated Property
Inp	[2472.00; 2472.00]
Inp	2472.00		NIST
Inp	2472.00		NIST
Tboil	876.89	K	Joback Calculated Property
Tc	1074.12	K	Joback Calculated Property
Tfus	528.75	K	Joback Calculated Property
Vc	1.276	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1034.54; 1110.81]	J/mol×K	[876.89; 1074.12]
Cp,gas	1034.54	J/mol×K	876.89	Joback Calculated Property
Cp,gas	1049.73	J/mol×K	909.76	Joback Calculated Property
Cp,gas	1063.85	J/mol×K	942.63	Joback Calculated Property
Cp,gas	1076.95	J/mol×K	975.50	Joback Calculated Property
Cp,gas	1089.10	J/mol×K	1008.37	Joback Calculated Property
Cp,gas	1100.37	J/mol×K	1041.25	Joback Calculated Property
Cp,gas	1110.81	J/mol×K	1074.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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