Chemical Properties of Fumaric acid, 4-methoxyphenyl 2-fluorophenyl ester

InChI

InChI=1S/C17H13FO5/c1-21-12-6-8-13(9-7-12)22-16(19)10-11-17(20)23-15-5-3-2-4-14(15)18/h2-11H,1H3/b11-10+

InChI Key

GDDLKFXMRSJHNI-ZHACJKMWSA-N

Formula

C17H13FO5

SMILES

COc1ccc(OC(=O)C=CC(=O)Oc2ccccc2F)cc1

Molecular Weight¹

316.28

• 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°	-389.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-644.80	kJ/mol	Joback Calculated Property
ΔfusH°	37.13	kJ/mol	Joback Calculated Property
ΔvapH°	79.17	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	2.901		Crippen Calculated Property
McVol	221.090	ml/mol	McGowan Calculated Property
Pc	2191.78	kPa	Joback Calculated Property
Inp	[2416.00; 2416.00]
Inp	2416.00		NIST
Inp	2416.00		NIST
Tboil	830.11	K	Joback Calculated Property
Tc	1059.39	K	Joback Calculated Property
Tfus	521.29	K	Joback Calculated Property
Vc	0.836	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[618.55; 673.76]	J/mol×K	[830.11; 1059.39]
Cp,gas	618.55	J/mol×K	830.11	Joback Calculated Property
Cp,gas	630.57	J/mol×K	868.32	Joback Calculated Property
Cp,gas	641.43	J/mol×K	906.54	Joback Calculated Property
Cp,gas	651.16	J/mol×K	944.75	Joback Calculated Property
Cp,gas	659.78	J/mol×K	982.96	Joback Calculated Property
Cp,gas	667.31	J/mol×K	1021.18	Joback Calculated Property
Cp,gas	673.76	J/mol×K	1059.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-methoxyphenyl 2-fluorophenyl ester.

Sources

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

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