Chemical Properties of Terephthalic acid, di(2-fluorophenethyl) ester

InChI

InChI=1S/C24H20F2O4/c25-21-7-3-1-5-17(21)13-15-29-23(27)19-9-11-20(12-10-19)24(28)30-16-14-18-6-2-4-8-22(18)26/h1-12H,13-16H2

InChI Key

IZQQJBFIKHVFAL-UHFFFAOYSA-N

Formula

C24H20F2O4

SMILES

O=C(OCCc1ccccc1F)c1ccc(C(=O)OCCc2ccccc2F)cc1

Molecular Weight¹

410.41

• 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	0.9492		Relay (1.0) Calculated Property
ΔfG°	-397.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-801.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.61	kJ/mol	Joback Calculated Property
ΔvapH°	135.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	4.764		Crippen Calculated Property
McVol	296.160	ml/mol	McGowan Calculated Property
Pc	1511.67	kPa	Joback Calculated Property
Inp	[2381.00; 2381.00]
Inp	2381.00		NIST
Inp	2381.00		NIST
Tboil	716.23	K	Relay (1.0) Calculated Property
Tc	987.96	K	Relay (1.0) Calculated Property
Tfus	358.02	K	Relay (1.0) Calculated Property
Vc	1.092	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[920.40; 966.69]	J/mol×K	[994.62; 1230.14]
Cp,gas	920.40	J/mol×K	994.62	Joback Calculated Property
Cp,gas	931.41	J/mol×K	1033.87	Joback Calculated Property
Cp,gas	941.02	J/mol×K	1073.13	Joback Calculated Property
Cp,gas	949.30	J/mol×K	1112.38	Joback Calculated Property
Cp,gas	956.30	J/mol×K	1151.63	Joback Calculated Property
Cp,gas	962.08	J/mol×K	1190.88	Joback Calculated Property
Cp,gas	966.69	J/mol×K	1230.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(2-fluorophenethyl) ester.

Sources

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

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