Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 2-fluorophenyl ester

InChI

InChI=1S/C18H15FO6/c1-22-14-8-5-9-15(23-2)18(14)25-17(21)11-10-16(20)24-13-7-4-3-6-12(13)19/h3-11H,1-2H3/b11-10+

InChI Key

GPRRCJQCBVYZMB-ZHACJKMWSA-N

Formula

C18H15FO6

SMILES

COc1cccc(OC)c1OC(=O)C=CC(=O)Oc1ccccc1F

Molecular Weight¹

346.31

• 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°	-495.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-809.13	kJ/mol	Joback Calculated Property
ΔfusH°	40.52	kJ/mol	Joback Calculated Property
ΔvapH°	84.47	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen Calculated Property
logPoct/wat	2.910		Crippen Calculated Property
McVol	241.050	ml/mol	McGowan Calculated Property
Pc	1950.95	kPa	Joback Calculated Property
Inp	[2546.00; 2546.00]
Inp	2546.00		NIST
Inp	2546.00		NIST
Tboil	880.39	K	Joback Calculated Property
Tc	1106.44	K	Joback Calculated Property
Tfus	567.31	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.21; 748.06]	J/mol×K	[880.39; 1106.44]
Cp,gas	698.21	J/mol×K	880.39	Joback Calculated Property
Cp,gas	709.71	J/mol×K	918.07	Joback Calculated Property
Cp,gas	719.94	J/mol×K	955.74	Joback Calculated Property
Cp,gas	728.89	J/mol×K	993.42	Joback Calculated Property
Cp,gas	736.56	J/mol×K	1031.09	Joback Calculated Property
Cp,gas	742.95	J/mol×K	1068.77	Joback Calculated Property
Cp,gas	748.06	J/mol×K	1106.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 2-fluorophenyl ester.

Sources

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

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