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

InChI

InChI=1S/C20H22FNO3/c1-14(2)7-6-12-25-20(24)16-9-5-8-15(13-16)19(23)22-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,23)

InChI Key

FEGDEEOBEYJBPV-UHFFFAOYSA-N

Formula

C20H22FNO3

SMILES

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

Molecular Weight¹

343.39

• 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°	-147.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-511.31	kJ/mol	Joback Calculated Property
ΔfusH°	43.90	kJ/mol	Joback Calculated Property
ΔvapH°	87.12	kJ/mol	Joback Calculated Property
log10WS	-5.87		Crippen Calculated Property
logPoct/wat	4.671		Crippen Calculated Property
McVol	265.900	ml/mol	McGowan Calculated Property
Pc	1706.12	kPa	Joback Calculated Property
Inp	[2811.00; 2811.00]
Inp	2811.00		NIST
Inp	2811.00		NIST
Tboil	899.48	K	Joback Calculated Property
Tc	1122.69	K	Joback Calculated Property
Tfus	553.38	K	Joback Calculated Property
Vc	1.016	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.76; 878.83]	J/mol×K	[899.48; 1122.69]
Cp,gas	815.76	J/mol×K	899.48	Joback Calculated Property
Cp,gas	829.09	J/mol×K	936.68	Joback Calculated Property
Cp,gas	841.22	J/mol×K	973.88	Joback Calculated Property
Cp,gas	852.21	J/mol×K	1011.09	Joback Calculated Property
Cp,gas	862.11	J/mol×K	1048.29	Joback Calculated Property
Cp,gas	870.96	J/mol×K	1085.49	Joback Calculated Property
Cp,gas	878.83	J/mol×K	1122.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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