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

InChI

InChI=1S/C21H23FO5/c1-3-4-5-6-13-26-20(23)15-7-9-16(10-8-15)21(24)27-18-12-11-17(22)14-19(18)25-2/h7-12,14H,3-6,13H2,1-2H3

InChI Key

SMMGRRLBOVTRIW-UHFFFAOYSA-N

Formula

C21H23FO5

SMILES

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

Molecular Weight¹

374.40

• 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°	-445.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-856.05	kJ/mol	Joback Calculated Property
ΔfusH°	46.90	kJ/mol	Joback Calculated Property
ΔvapH°	88.78	kJ/mol	Joback Calculated Property
log10WS	-6.35		Crippen Calculated Property
logPoct/wat	4.791		Crippen Calculated Property
McVol	281.750	ml/mol	McGowan Calculated Property
Pc	1494.19	kPa	Joback Calculated Property
Inp	[2975.00; 2975.00]
Inp	2975.00		NIST
Inp	2975.00		NIST
Tboil	922.45	K	Joback Calculated Property
Tc	1141.53	K	Joback Calculated Property
Tfus	583.97	K	Joback Calculated Property
Vc	1.079	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[871.49; 928.27]	J/mol×K	[922.45; 1141.53]
Cp,gas	871.49	J/mol×K	922.45	Joback Calculated Property
Cp,gas	884.36	J/mol×K	958.96	Joback Calculated Property
Cp,gas	895.85	J/mol×K	995.48	Joback Calculated Property
Cp,gas	905.97	J/mol×K	1031.99	Joback Calculated Property
Cp,gas	914.74	J/mol×K	1068.50	Joback Calculated Property
Cp,gas	922.17	J/mol×K	1105.02	Joback Calculated Property
Cp,gas	928.27	J/mol×K	1141.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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