Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C15H14F4O6/c1-22-9-4-3-5-10(23-2)13(9)25-12(21)7-6-11(20)24-8-15(18,19)14(16)17/h3-7,14H,8H2,1-2H3/b7-6+

InChI Key

DELIHFRPFRNKEF-VOTSOKGWSA-N

Formula

C15H14F4O6

SMILES

COc1cccc(OC)c1OC(=O)C=CC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

366.26

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8602		Relay (1.0) Calculated Property
ΔfG°	-1207.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1657.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.40	kJ/mol	Joback Calculated Property
ΔvapH°	92.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-4.14		Relay (1.0) Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	227.850	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
Inp	[2030.00; 2030.00]
Inp	2030.00		NIST
Inp	2030.00		NIST
Tboil	601.55	K	Relay (1.0) Calculated Property
Tc	786.78	K	Relay (1.0) Calculated Property
Tfus	372.49	K	Relay (1.0) Calculated Property
Vc	0.811	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.32; 713.70]	J/mol×K	[774.23; 968.34]
Cp,gas	655.32	J/mol×K	774.23	Joback Calculated Property
Cp,gas	667.21	J/mol×K	806.58	Joback Calculated Property
Cp,gas	678.22	J/mol×K	838.93	Joback Calculated Property
Cp,gas	688.37	J/mol×K	871.29	Joback Calculated Property
Cp,gas	697.65	J/mol×K	903.64	Joback Calculated Property
Cp,gas	706.09	J/mol×K	935.99	Joback Calculated Property
Cp,gas	713.70	J/mol×K	968.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3-tetrafluoropropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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