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

InChI

InChI=1S/C24H26F4O4/c1-2-3-4-5-6-7-15-31-22(29)17-11-13-18(14-12-17)23(30)32-16-19-20(24(26,27)28)9-8-10-21(19)25/h8-14H,2-7,15-16H2,1H3

InChI Key

RXYBBTSEQOZSGS-UHFFFAOYSA-N

Formula

C24H26F4O4

SMILES

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

Molecular Weight¹

454.45

• 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°	-897.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1382.83	kJ/mol	Joback Calculated Property
ΔfusH°	55.31	kJ/mol	Joback Calculated Property
ΔvapH°	89.30	kJ/mol	Joback Calculated Property
log10WS	-8.43		Crippen Calculated Property
logPoct/wat	6.719		Crippen Calculated Property
McVol	323.460	ml/mol	McGowan Calculated Property
Pc	1130.62	kPa	Joback Calculated Property
Inp	[3209.00; 3209.00]
Inp	3209.00		NIST
Inp	3209.00		NIST
Tboil	963.25	K	Joback Calculated Property
Tc	1180.39	K	Joback Calculated Property
Tfus	599.74	K	Joback Calculated Property
Vc	1.272	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1042.70; 1104.90]	J/mol×K	[963.25; 1180.39]
Cp,gas	1042.70	J/mol×K	963.25	Joback Calculated Property
Cp,gas	1055.93	J/mol×K	999.44	Joback Calculated Property
Cp,gas	1067.94	J/mol×K	1035.63	Joback Calculated Property
Cp,gas	1078.78	J/mol×K	1071.82	Joback Calculated Property
Cp,gas	1088.51	J/mol×K	1108.01	Joback Calculated Property
Cp,gas	1097.19	J/mol×K	1144.20	Joback Calculated Property
Cp,gas	1104.90	J/mol×K	1180.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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