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

InChI

InChI=1S/C17H16FNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20)

InChI Key

UBGQAJWLFAPTCI-UHFFFAOYSA-N

Formula

C17H16FNO3

SMILES

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

Molecular Weight¹

301.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7965		Relay (1.0) Calculated Property
ΔfusH°	39.65	kJ/mol	Joback Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-4.76		Relay (1.0) Calculated Property
logPoct/wat	3.645		Crippen Calculated Property
McVol	223.630	ml/mol	McGowan Calculated Property
Pc	2181.56	kPa	Joback Calculated Property
Inp	[2541.00; 2541.00]
Inp	2541.00		NIST
Inp	2541.00		NIST
Tboil	644.53	K	Relay (1.0) Calculated Property
Tc	923.54	K	Relay (1.0) Calculated Property
Tfus	378.90	K	Relay (1.0) Calculated Property
Vc	0.808	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[645.38; 705.54]	J/mol×K	[831.28; 1057.08]
Cp,gas	645.38	J/mol×K	831.28	Joback Calculated Property
Cp,gas	658.04	J/mol×K	868.91	Joback Calculated Property
Cp,gas	669.59	J/mol×K	906.55	Joback Calculated Property
Cp,gas	680.07	J/mol×K	944.18	Joback Calculated Property
Cp,gas	689.53	J/mol×K	981.81	Joback Calculated Property
Cp,gas	698.00	J/mol×K	1019.45	Joback Calculated Property
Cp,gas	705.54	J/mol×K	1057.08	Joback Calculated Property

Similar Compounds

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