Chemical Properties of Terephthalic acid, tridecyl 2,2,2-trifluoroethyl ester

InChI

InChI=1S/C23H33F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-29-21(27)19-13-15-20(16-14-19)22(28)30-18-23(24,25)26/h13-16H,2-12,17-18H2,1H3

InChI Key

JUEDJRPJLSEVNL-UHFFFAOYSA-N

Formula

C23H33F3O4

SMILES

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

Molecular Weight¹

430.50

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	1.1410		Relay (... Calculated Property
ΔfG°	-803.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1534.48	kJ/mol	Relay (... Calculated Property
ΔfusH°	56.38	kJ/mol	Joback Calculated Property
ΔvapH°	112.69	kJ/mol	Relay (... Calculated Property
IE	9.88	eV	Relay (... Calculated Property
log10WS	-7.41		Relay (... Calculated Property
logPoct/wat	6.873		Crippen Calculated Property
McVol	331.360	ml/mol	McGowan Calculated Property
Pc	1018.13	kPa	Joback Calculated Property
Inp	[2843.00; 2843.00]
Inp	2843.00		NIST
Inp	2843.00		NIST
Tboil	658.03	K	Relay (... Calculated Property
Tc	834.11	K	Relay (... Calculated Property
Tfus	322.01	K	Relay (... Calculated Property
Vc	1.247	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1079.73; 1159.29]	J/mol×K	[904.46; 1107.50]
Cp,gas	1079.73	J/mol×K	904.46	Joback Calculated Property
Cp,gas	1095.80	J/mol×K	938.30	Joback Calculated Property
Cp,gas	1110.68	J/mol×K	972.14	Joback Calculated Property
Cp,gas	1124.42	J/mol×K	1005.98	Joback Calculated Property
Cp,gas	1137.06	J/mol×K	1039.82	Joback Calculated Property
Cp,gas	1148.67	J/mol×K	1073.66	Joback Calculated Property
Cp,gas	1159.29	J/mol×K	1107.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, tridecyl 2,2,2-trifluoroethyl ester.

Sources

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

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