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

InChI

InChI=1S/C24H14F8O4/c25-19-5-1-3-17(23(27,28)29)15(19)11-35-21(33)13-7-9-14(10-8-13)22(34)36-12-16-18(24(30,31)32)4-2-6-20(16)26/h1-10H,11-12H2

InChI Key

PZPUQQXKRSWMRW-UHFFFAOYSA-N

Formula

C24H14F8O4

SMILES

O=C(OCc1c(F)cccc1C(F)(F)F)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1

Molecular Weight¹

518.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	53.48	kJ/mol	Joback Calculated Property
logPoct/wat	6.716		Crippen Calculated Property
McVol	306.780	ml/mol	McGowan Calculated Property
Inp	[3226.00; 3226.00]
Inp	3226.00		NIST
Inp	3226.00		NIST
Tboil	705.92	K	Relay (1.0) Calculated Property
Tfus	401.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.60; 1003.17]	J/mol×K	[993.74; 1218.60]
Cp,gas	959.60	J/mol×K	993.74	Joback Calculated Property
Cp,gas	969.14	J/mol×K	1031.22	Joback Calculated Property
Cp,gas	977.64	J/mol×K	1068.69	Joback Calculated Property
Cp,gas	985.20	J/mol×K	1106.17	Joback Calculated Property
Cp,gas	991.92	J/mol×K	1143.65	Joback Calculated Property
Cp,gas	997.88	J/mol×K	1181.13	Joback Calculated Property
Cp,gas	1003.17	J/mol×K	1218.60	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.