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

InChI

InChI=1S/C23H24F4O4/c1-2-3-4-5-6-14-30-21(28)16-10-12-17(13-11-16)22(29)31-15-18-19(23(25,26)27)8-7-9-20(18)24/h7-13H,2-6,14-15H2,1H3

InChI Key

LTDXBVRYXONSAP-UHFFFAOYSA-N

Formula

C23H24F4O4

SMILES

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

Molecular Weight¹

440.43

• 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°	-905.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1362.19	kJ/mol	Joback Calculated Property
ΔfusH°	52.72	kJ/mol	Joback Calculated Property
ΔvapH°	87.08	kJ/mol	Joback Calculated Property
log10WS	-8.01		Crippen Calculated Property
logPoct/wat	6.329		Crippen Calculated Property
McVol	309.370	ml/mol	McGowan Calculated Property
Pc	1207.31	kPa	Joback Calculated Property
Inp	[3105.00; 3105.00]
Inp	3105.00		NIST
Inp	3105.00		NIST
Tboil	940.37	K	Joback Calculated Property
Tc	1154.33	K	Joback Calculated Property
Tfus	588.47	K	Joback Calculated Property
Vc	1.216	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[983.45; 1044.88]	J/mol×K	[940.37; 1154.33]
Cp,gas	983.45	J/mol×K	940.37	Joback Calculated Property
Cp,gas	996.46	J/mol×K	976.03	Joback Calculated Property
Cp,gas	1008.29	J/mol×K	1011.69	Joback Calculated Property
Cp,gas	1018.99	J/mol×K	1047.35	Joback Calculated Property
Cp,gas	1028.61	J/mol×K	1083.01	Joback Calculated Property
Cp,gas	1037.23	J/mol×K	1118.67	Joback Calculated Property
Cp,gas	1044.88	J/mol×K	1154.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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