Chemical Properties of Fumaric acid, 3-methylbutyl 2-fluorophenyl ester

InChI

InChI=1S/C15H17FO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-6-4-3-5-12(13)16/h3-8,11H,9-10H2,1-2H3/b8-7+

InChI Key

RNYJOXILEFWWII-BQYQJAHWSA-N

Formula

C15H17FO4

SMILES

CC(C)CCOC(=O)C=CC(=O)Oc1ccccc1F

Molecular Weight¹

280.29

• 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°	-406.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-701.64	kJ/mol	Joback Calculated Property
ΔfusH°	33.59	kJ/mol	Joback Calculated Property
ΔvapH°	68.99	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	2.877		Crippen Calculated Property
McVol	210.800	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[1897.00; 1897.00]
Inp	1897.00		NIST
Inp	1897.00		NIST
Tboil	729.83	K	Joback Calculated Property
Tc	935.84	K	Joback Calculated Property
Tfus	422.58	K	Joback Calculated Property
Vc	0.807	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[578.05; 648.02]	J/mol×K	[729.83; 935.84]
Cp,gas	578.05	J/mol×K	729.83	Joback Calculated Property
Cp,gas	591.92	J/mol×K	764.17	Joback Calculated Property
Cp,gas	604.88	J/mol×K	798.50	Joback Calculated Property
Cp,gas	616.95	J/mol×K	832.84	Joback Calculated Property
Cp,gas	628.15	J/mol×K	867.17	Joback Calculated Property
Cp,gas	638.50	J/mol×K	901.51	Joback Calculated Property
Cp,gas	648.02	J/mol×K	935.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-methylbutyl 2-fluorophenyl ester.

Sources

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

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