Chemical Properties of Fumaric acid, 2-methylpentyl 2-fluorophenyl ester

InChI

InChI=1S/C16H19FO4/c1-3-6-12(2)11-20-15(18)9-10-16(19)21-14-8-5-4-7-13(14)17/h4-5,7-10,12H,3,6,11H2,1-2H3/b10-9+

InChI Key

QGXPLQUPUVBVQO-MDZDMXLPSA-N

Formula

C16H19FO4

SMILES

CCCC(C)COC(=O)C=CC(=O)Oc1ccccc1F

Molecular Weight¹

294.32

• 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°	-398.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.28	kJ/mol	Joback Calculated Property
ΔfusH°	36.18	kJ/mol	Joback Calculated Property
ΔvapH°	71.21	kJ/mol	Joback Calculated Property
log10WS	-3.94		Crippen Calculated Property
logPoct/wat	3.267		Crippen Calculated Property
McVol	224.890	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[2003.00; 2003.00]
Inp	2003.00		NIST
Inp	2003.00		NIST
Tboil	752.71	K	Joback Calculated Property
Tc	956.70	K	Joback Calculated Property
Tfus	433.85	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.25; 704.02]	J/mol×K	[752.71; 956.70]
Cp,gas	632.25	J/mol×K	752.71	Joback Calculated Property
Cp,gas	646.49	J/mol×K	786.71	Joback Calculated Property
Cp,gas	659.78	J/mol×K	820.71	Joback Calculated Property
Cp,gas	672.16	J/mol×K	854.71	Joback Calculated Property
Cp,gas	683.64	J/mol×K	888.71	Joback Calculated Property
Cp,gas	694.25	J/mol×K	922.71	Joback Calculated Property
Cp,gas	704.02	J/mol×K	956.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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