Chemical Properties of Fumaric acid, 2-methoxyphenyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C17H12ClFO5/c1-22-13-7-2-3-8-14(13)23-15(20)9-10-16(21)24-17-11(18)5-4-6-12(17)19/h2-10H,1H3/b10-9+

InChI Key

RDMGWPMUSIDURH-MDZDMXLPSA-N

Formula

C17H12ClFO5

SMILES

COc1ccccc1OC(=O)C=CC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

350.73

• 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°	-411.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.01	kJ/mol	Joback Calculated Property
ΔfusH°	40.94	kJ/mol	Joback Calculated Property
ΔvapH°	84.22	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	3.555		Crippen Calculated Property
McVol	233.330	ml/mol	McGowan Calculated Property
Pc	2088.84	kPa	Joback Calculated Property
Inp	[2470.00; 2470.00]
Inp	2470.00		NIST
Inp	2470.00		NIST
Tboil	872.52	K	Joback Calculated Property
Tc	1105.37	K	Joback Calculated Property
Tfus	563.73	K	Joback Calculated Property
Vc	0.884	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.97; 684.59]	J/mol×K	[872.52; 1105.37]
Cp,gas	637.97	J/mol×K	872.52	Joback Calculated Property
Cp,gas	648.58	J/mol×K	911.33	Joback Calculated Property
Cp,gas	658.03	J/mol×K	950.14	Joback Calculated Property
Cp,gas	666.34	J/mol×K	988.94	Joback Calculated Property
Cp,gas	673.52	J/mol×K	1027.75	Joback Calculated Property
Cp,gas	679.60	J/mol×K	1066.56	Joback Calculated Property
Cp,gas	684.59	J/mol×K	1105.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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