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

InChI

InChI=1S/C18H18FNO3/c1-2-3-11-23-18(22)14-8-6-7-13(12-14)17(21)20-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,21)

InChI Key

HNAIWKRNFFUCJY-UHFFFAOYSA-N

Formula

C18H18FNO3

SMILES

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

Molecular Weight¹

315.34

• 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°	-162.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-464.75	kJ/mol	Joback Calculated Property
ΔfusH°	42.24	kJ/mol	Joback Calculated Property
ΔvapH°	83.06	kJ/mol	Joback Calculated Property
log10WS	-5.28		Crippen Calculated Property
logPoct/wat	4.035		Crippen Calculated Property
McVol	237.720	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[2652.00; 2652.00]
Inp	2652.00		NIST
Inp	2652.00		NIST
Tboil	854.16	K	Joback Calculated Property
Tc	1077.63	K	Joback Calculated Property
Tfus	545.84	K	Joback Calculated Property
Vc	0.910	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.17; 762.45]	J/mol×K	[854.16; 1077.63]
Cp,gas	701.17	J/mol×K	854.16	Joback Calculated Property
Cp,gas	714.05	J/mol×K	891.41	Joback Calculated Property
Cp,gas	725.80	J/mol×K	928.65	Joback Calculated Property
Cp,gas	736.47	J/mol×K	965.90	Joback Calculated Property
Cp,gas	746.11	J/mol×K	1003.14	Joback Calculated Property
Cp,gas	754.75	J/mol×K	1040.39	Joback Calculated Property
Cp,gas	762.45	J/mol×K	1077.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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