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

InChI

InChI=1S/C18H18FNO3/c1-12(2)11-23-18(22)14-7-5-6-13(10-14)17(21)20-16-9-4-3-8-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,21)

InChI Key

QHCNAYWMFFUCTI-UHFFFAOYSA-N

Formula

C18H18FNO3

SMILES

CC(C)COC(=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°	-164.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-470.03	kJ/mol	Joback Calculated Property
ΔfusH°	38.72	kJ/mol	Joback Calculated Property
ΔvapH°	82.67	kJ/mol	Joback Calculated Property
log10WS	-5.04		Crippen Calculated Property
logPoct/wat	3.891		Crippen Calculated Property
McVol	237.720	ml/mol	McGowan Calculated Property
Pc	2012.70	kPa	Joback Calculated Property
Inp	[2569.00; 2569.00]
Inp	2569.00		NIST
Inp	2569.00		NIST
Tboil	853.72	K	Joback Calculated Property
Tc	1080.24	K	Joback Calculated Property
Tfus	530.84	K	Joback Calculated Property
Vc	0.904	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.74; 763.31]	J/mol×K	[853.72; 1080.24]
Cp,gas	701.74	J/mol×K	853.72	Joback Calculated Property
Cp,gas	714.77	J/mol×K	891.47	Joback Calculated Property
Cp,gas	726.63	J/mol×K	929.23	Joback Calculated Property
Cp,gas	737.37	J/mol×K	966.98	Joback Calculated Property
Cp,gas	747.03	J/mol×K	1004.74	Joback Calculated Property
Cp,gas	755.66	J/mol×K	1042.49	Joback Calculated Property
Cp,gas	763.31	J/mol×K	1080.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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