Chemical Properties of Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester

InChI

InChI=1S/C24H16F6O4/c25-23(26,27)19(15-7-3-1-4-8-15)33-21(31)17-11-13-18(14-12-17)22(32)34-20(24(28,29)30)16-9-5-2-6-10-16/h1-14,19-20H

InChI Key

HSOPHXVPQUPZRD-UHFFFAOYSA-N

Formula

C24H16F6O4

SMILES

O=C(OC(c1ccccc1)C(F)(F)F)c1ccc(C(=O)OC(c2ccccc2)C(F)(F)F)cc1

Molecular Weight¹

482.37

• 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	0.8250		Relay (1.0) Calculated Property
ΔfG°	-1157.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1714.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.83	kJ/mol	Joback Calculated Property
ΔvapH°	123.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-6.61		Relay (1.0) Calculated Property
logPoct/wat	6.607		Crippen Calculated Property
McVol	303.240	ml/mol	McGowan Calculated Property
Pc	1404.84	kPa	Joback Calculated Property
Inp	[2135.00; 2135.00]
Inp	2135.00		NIST
Inp	2135.00		NIST
Tboil	683.15	K	Relay (1.0) Calculated Property
Tc	952.84	K	Relay (1.0) Calculated Property
Tfus	388.84	K	Relay (1.0) Calculated Property
Vc	1.093	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[953.24; 1002.93]	J/mol×K	[974.40; 1204.38]
Cp,gas	953.24	J/mol×K	974.40	Joback Calculated Property
Cp,gas	963.73	J/mol×K	1012.73	Joback Calculated Property
Cp,gas	973.17	J/mol×K	1051.06	Joback Calculated Property
Cp,gas	981.69	J/mol×K	1089.39	Joback Calculated Property
Cp,gas	989.40	J/mol×K	1127.72	Joback Calculated Property
Cp,gas	996.44	J/mol×K	1166.05	Joback Calculated Property
Cp,gas	1002.93	J/mol×K	1204.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(2,2,2-trifluoro-1-phenylethyl) ester.

Sources

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

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