Chemical Properties of Isophthalic acid, monoamide, N-(2-fluorophenyl)-, ethyl ester

InChI

InChI=1S/C16H14FNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19)

InChI Key

WIGWYQSJFXWMOC-UHFFFAOYSA-N

Formula

C16H14FNO3

SMILES

CCOC(=O)c1cccc(C(=O)Nc2ccccc2F)c1

Molecular Weight¹

287.29

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7463		Relay (1.0) Calculated Property
ΔfH°gas	-576.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.65	kJ/mol	Joback Calculated Property
ΔvapH°	99.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	3.255		Crippen Calculated Property
McVol	209.540	ml/mol	McGowan Calculated Property
Pc	2298.11	kPa	Joback Calculated Property
Inp	[2433.00; 2433.00]
Inp	2433.00		NIST
Inp	2433.00		NIST
Tboil	634.82	K	Relay (1.0) Calculated Property
Tc	919.57	K	Relay (1.0) Calculated Property
Tfus	378.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.01; 645.99]	J/mol×K	[790.53; 1017.67]
Cp,gas	587.01	J/mol×K	790.53	Joback Calculated Property
Cp,gas	599.58	J/mol×K	828.39	Joback Calculated Property
Cp,gas	611.00	J/mol×K	866.24	Joback Calculated Property
Cp,gas	621.31	J/mol×K	904.10	Joback Calculated Property
Cp,gas	630.55	J/mol×K	941.95	Joback Calculated Property
Cp,gas	638.77	J/mol×K	979.81	Joback Calculated Property
Cp,gas	645.99	J/mol×K	1017.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(2-fluorophenyl)-, ethyl 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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