Chemical Properties of Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester

InChI

InChI=1S/C25H28F4O4/c1-2-3-4-5-6-7-8-16-32-23(30)18-12-14-19(15-13-18)24(31)33-17-20-21(25(27,28)29)10-9-11-22(20)26/h9-15H,2-8,16-17H2,1H3

InChI Key

IJEAEWNXFRVNDC-UHFFFAOYSA-N

Formula

C25H28F4O4

SMILES

CCCCCCCCCOC(=O)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1

Molecular Weight¹

468.48

• 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°	-888.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1403.47	kJ/mol	Joback Calculated Property
ΔfusH°	57.90	kJ/mol	Joback Calculated Property
ΔvapH°	91.53	kJ/mol	Joback Calculated Property
log10WS	-8.85		Crippen Calculated Property
logPoct/wat	7.109		Crippen Calculated Property
McVol	337.550	ml/mol	McGowan Calculated Property
Pc	1061.02	kPa	Joback Calculated Property
Inp	[3308.00; 3308.00]
Inp	3308.00		NIST
Inp	3308.00		NIST
Tboil	986.13	K	Joback Calculated Property
Tc	1207.41	K	Joback Calculated Property
Tfus	611.01	K	Joback Calculated Property
Vc	1.329	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1102.50; 1165.48]	J/mol×K	[986.13; 1207.41]
Cp,gas	1102.50	J/mol×K	986.13	Joback Calculated Property
Cp,gas	1115.97	J/mol×K	1023.01	Joback Calculated Property
Cp,gas	1128.17	J/mol×K	1059.89	Joback Calculated Property
Cp,gas	1139.15	J/mol×K	1096.77	Joback Calculated Property
Cp,gas	1148.98	J/mol×K	1133.65	Joback Calculated Property
Cp,gas	1157.74	J/mol×K	1170.53	Joback Calculated Property
Cp,gas	1165.48	J/mol×K	1207.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester.

Sources

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

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