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

• 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°	-170.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.11	kJ/mol	Joback Calculated Property
ΔfusH°	39.65	kJ/mol	Joback Calculated Property
ΔvapH°	80.83	kJ/mol	Joback Calculated Property
log10WS	-4.86		Crippen 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	831.28	K	Joback Calculated Property
Tc	1057.08	K	Joback Calculated Property
Tfus	534.57	K	Joback Calculated Property
Vc	0.855	m3/kmol	Joback Calculated Property

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

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

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