Chemical Properties of Terephthalic acid, ethyl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C17H15FO5/c1-3-22-16(19)11-4-6-12(7-5-11)17(20)23-14-9-8-13(18)10-15(14)21-2/h4-10H,3H2,1-2H3

InChI Key

QCPQEYVJEAGUKL-UHFFFAOYSA-N

Formula

C17H15FO5

SMILES

CCOC(=O)c1ccc(C(=O)Oc2ccc(F)cc2OC)cc1

Molecular Weight¹

318.30

• 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°	-479.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-773.49	kJ/mol	Joback Calculated Property
ΔfusH°	36.54	kJ/mol	Joback Calculated Property
ΔvapH°	79.88	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	3.230		Crippen Calculated Property
McVol	225.390	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	[2498.00; 2498.00]
Inp	2498.00		NIST
Inp	2498.00		NIST
Tboil	830.93	K	Joback Calculated Property
Tc	1054.15	K	Joback Calculated Property
Tfus	538.89	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[643.93; 700.56]	J/mol×K	[830.93; 1054.15]
Cp,gas	643.93	J/mol×K	830.93	Joback Calculated Property
Cp,gas	656.37	J/mol×K	868.13	Joback Calculated Property
Cp,gas	667.62	J/mol×K	905.34	Joback Calculated Property
Cp,gas	677.66	J/mol×K	942.54	Joback Calculated Property
Cp,gas	686.51	J/mol×K	979.74	Joback Calculated Property
Cp,gas	694.14	J/mol×K	1016.95	Joback Calculated Property
Cp,gas	700.56	J/mol×K	1054.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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