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

InChI

InChI=1S/C19H20FNO3/c1-2-3-6-12-24-19(23)15-9-7-8-14(13-15)18(22)21-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,21,22)

InChI Key

CFORUZMHLFSHTN-UHFFFAOYSA-N

Formula

C19H20FNO3

SMILES

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

Molecular Weight¹

329.37

• ω : Acentric Factor.
• 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).
• 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	0.8881		Relay (1.0) Calculated Property
ΔfG°	-153.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-623.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.83	kJ/mol	Joback Calculated Property
ΔvapH°	103.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-5.37		Relay (1.0) Calculated Property
logPoct/wat	4.425		Crippen Calculated Property
McVol	251.810	ml/mol	McGowan Calculated Property
Pc	1837.26	kPa	Joback Calculated Property
Inp	[2755.00; 2755.00]
Inp	2755.00		NIST
Inp	2755.00		NIST
Tboil	655.46	K	Relay (1.0) Calculated Property
Tc	940.32	K	Relay (1.0) Calculated Property
Tfus	364.98	K	Relay (1.0) Calculated Property
Vc	0.910	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.81; 820.02]	J/mol×K	[877.04; 1098.85]
Cp,gas	757.81	J/mol×K	877.04	Joback Calculated Property
Cp,gas	770.88	J/mol×K	914.01	Joback Calculated Property
Cp,gas	782.80	J/mol×K	950.98	Joback Calculated Property
Cp,gas	793.62	J/mol×K	987.94	Joback Calculated Property
Cp,gas	803.40	J/mol×K	1024.91	Joback Calculated Property
Cp,gas	812.19	J/mol×K	1061.88	Joback Calculated Property
Cp,gas	820.02	J/mol×K	1098.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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