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

InChI

InChI=1S/C20H21FO5/c1-3-4-5-12-25-19(22)14-6-8-15(9-7-14)20(23)26-17-11-10-16(21)13-18(17)24-2/h6-11,13H,3-5,12H2,1-2H3

InChI Key

HVUOJSPHCWFURD-UHFFFAOYSA-N

Formula

C20H21FO5

SMILES

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

Molecular Weight¹

360.38

• 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°	-454.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-835.41	kJ/mol	Joback Calculated Property
ΔfusH°	44.31	kJ/mol	Joback Calculated Property
ΔvapH°	86.56	kJ/mol	Joback Calculated Property
log10WS	-5.93		Crippen Calculated Property
logPoct/wat	4.401		Crippen Calculated Property
McVol	267.660	ml/mol	McGowan Calculated Property
Pc	1611.58	kPa	Joback Calculated Property
Inp	[2871.00; 2871.00]
Inp	2871.00		NIST
Inp	2871.00		NIST
Tboil	899.57	K	Joback Calculated Property
Tc	1118.60	K	Joback Calculated Property
Tfus	572.70	K	Joback Calculated Property
Vc	1.024	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.53; 870.65]	J/mol×K	[899.57; 1118.60]
Cp,gas	813.53	J/mol×K	899.57	Joback Calculated Property
Cp,gas	826.34	J/mol×K	936.07	Joback Calculated Property
Cp,gas	837.82	J/mol×K	972.58	Joback Calculated Property
Cp,gas	847.99	J/mol×K	1009.08	Joback Calculated Property
Cp,gas	856.85	J/mol×K	1045.59	Joback Calculated Property
Cp,gas	864.40	J/mol×K	1082.09	Joback Calculated Property
Cp,gas	870.65	J/mol×K	1118.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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