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

InChI

InChI=1S/C23H27FO5/c1-3-4-5-6-7-8-15-28-22(25)17-9-11-18(12-10-17)23(26)29-20-14-13-19(24)16-21(20)27-2/h9-14,16H,3-8,15H2,1-2H3

InChI Key

QRRIUVLCRNOOKN-UHFFFAOYSA-N

Formula

C23H27FO5

SMILES

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

Molecular Weight¹

402.46

• 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°	-428.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-897.33	kJ/mol	Joback Calculated Property
ΔfusH°	52.08	kJ/mol	Joback Calculated Property
ΔvapH°	93.23	kJ/mol	Joback Calculated Property
log10WS	-7.18		Crippen Calculated Property
logPoct/wat	5.571		Crippen Calculated Property
McVol	309.930	ml/mol	McGowan Calculated Property
Pc	1294.86	kPa	Joback Calculated Property
Inp	[3182.00; 3182.00]
Inp	3182.00		NIST
Inp	3182.00		NIST
Tboil	968.21	K	Joback Calculated Property
Tc	1189.86	K	Joback Calculated Property
Tfus	606.51	K	Joback Calculated Property
Vc	1.192	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[989.15; 1044.62]	J/mol×K	[968.21; 1189.86]
Cp,gas	989.15	J/mol×K	968.21	Joback Calculated Property
Cp,gas	1002.07	J/mol×K	1005.15	Joback Calculated Property
Cp,gas	1013.50	J/mol×K	1042.09	Joback Calculated Property
Cp,gas	1023.45	J/mol×K	1079.04	Joback Calculated Property
Cp,gas	1031.94	J/mol×K	1115.98	Joback Calculated Property
Cp,gas	1038.99	J/mol×K	1152.92	Joback Calculated Property
Cp,gas	1044.62	J/mol×K	1189.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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