Chemical Properties of Fumaric acid, 2-methoxyphenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C14H12F4O5/c1-21-9-4-2-3-5-10(9)23-12(20)7-6-11(19)22-8-14(17,18)13(15)16/h2-7,13H,8H2,1H3/b7-6+

InChI Key

KUSMZDGVRCWESS-VOTSOKGWSA-N

Formula

C14H12F4O5

SMILES

COc1ccccc1OC(=O)C=CC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

336.24

• 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°	-1101.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1410.30	kJ/mol	Joback Calculated Property
ΔfusH°	34.02	kJ/mol	Joback Calculated Property
ΔvapH°	65.42	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	2.600		Crippen Calculated Property
McVol	207.890	ml/mol	McGowan Calculated Property
Pc	1937.24	kPa	Joback Calculated Property
Inp	[1823.00; 1823.00]
Inp	1823.00		NIST
Inp	1823.00		NIST
Tboil	723.95	K	Joback Calculated Property
Tc	918.20	K	Joback Calculated Property
Tfus	437.73	K	Joback Calculated Property
Vc	0.812	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.15; 636.33]	J/mol×K	[723.95; 918.20]
Cp,gas	577.15	J/mol×K	723.95	Joback Calculated Property
Cp,gas	589.01	J/mol×K	756.32	Joback Calculated Property
Cp,gas	600.04	J/mol×K	788.70	Joback Calculated Property
Cp,gas	610.26	J/mol×K	821.07	Joback Calculated Property
Cp,gas	619.70	J/mol×K	853.45	Joback Calculated Property
Cp,gas	628.38	J/mol×K	885.82	Joback Calculated Property
Cp,gas	636.33	J/mol×K	918.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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