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

InChI

InChI=1S/C18H23FO4/c1-3-5-8-14(4-2)13-22-17(20)11-12-18(21)23-16-10-7-6-9-15(16)19/h6-7,9-12,14H,3-5,8,13H2,1-2H3/b12-11+

InChI Key

DMBSLJMMWFRZAK-VAWYXSNFSA-N

Formula

C18H23FO4

SMILES

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

Molecular Weight¹

322.37

• 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°	-381.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-763.56	kJ/mol	Joback Calculated Property
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
ΔvapH°	75.67	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	4.047		Crippen Calculated Property
McVol	253.070	ml/mol	McGowan Calculated Property
Pc	1570.96	kPa	Joback Calculated Property
Inp	[2176.00; 2176.00]
Inp	2176.00		NIST
Inp	2176.00		NIST
Tboil	798.47	K	Joback Calculated Property
Tc	1000.03	K	Joback Calculated Property
Tfus	456.39	K	Joback Calculated Property
Vc	0.976	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.83; 818.47]	J/mol×K	[798.47; 1000.03]
Cp,gas	743.83	J/mol×K	798.47	Joback Calculated Property
Cp,gas	758.67	J/mol×K	832.06	Joback Calculated Property
Cp,gas	772.52	J/mol×K	865.66	Joback Calculated Property
Cp,gas	785.39	J/mol×K	899.25	Joback Calculated Property
Cp,gas	797.32	J/mol×K	932.84	Joback Calculated Property
Cp,gas	808.34	J/mol×K	966.44	Joback Calculated Property
Cp,gas	818.47	J/mol×K	1000.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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