Chemical Properties of Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester

InChI

InChI=1S/C18H24FNO3/c1-3-5-8-14(4-2)13-23-18(22)12-11-17(21)20-16-10-7-6-9-15(16)19/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,20,21)/b12-11+

InChI Key

ZIEAWDRMBBMLPE-VAWYXSNFSA-N

Formula

C18H24FNO3

SMILES

CCCCC(CC)COC(=O)/C=C/C(=O)Nc1ccccc1F

Molecular Weight¹

321.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.85	kJ/mol	Joback Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	4.080		Crippen Calculated Property
McVol	257.180	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[2518.00; 2518.00]
Inp	2518.00		NIST
Inp	2518.00		NIST
Tboil	625.46	K	Relay (1.0) Calculated Property
Tfus	325.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[359.95; 837.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.12950e+01
Coefficient B			1.60654e+00
Coefficient C			-9.58260e-04
Coefficient D			2.00460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.95	J/mol×K	273.00	Calculated Property
Cp,gas	446.00	J/mol×K	353.78	Calculated Property
Cp,gas	522.33	J/mol×K	434.56	Calculated Property
Cp,gas	589.56	J/mol×K	515.33	Calculated Property
Cp,gas	648.33	J/mol×K	596.11	Calculated Property
Cp,gas	699.27	J/mol×K	676.89	Calculated Property
Cp,gas	743.02	J/mol×K	757.67	Calculated Property
Cp,gas	780.21	J/mol×K	838.44	Calculated Property
Cp,gas	811.47	J/mol×K	919.22	Calculated Property
Cp,gas	837.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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