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

InChI

InChI=1S/C23H28FNO3/c1-2-3-4-5-6-7-10-16-28-23(27)19-13-11-12-18(17-19)22(26)25-21-15-9-8-14-20(21)24/h8-9,11-15,17H,2-7,10,16H2,1H3,(H,25,26)

InChI Key

ULTQPKRGBQCOTM-UHFFFAOYSA-N

Formula

C23H28FNO3

SMILES

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

Molecular Weight¹

385.47

• 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	1.0558		Relay (1.0) Calculated Property
ΔfG°	-119.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-708.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.20	kJ/mol	Joback Calculated Property
ΔvapH°	117.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-6.66		Relay (1.0) Calculated Property
logPoct/wat	5.985		Crippen Calculated Property
McVol	308.170	ml/mol	McGowan Calculated Property
Pc	1354.63	kPa	Joback Calculated Property
Inp	[3191.00; 3191.00]
Inp	3191.00		NIST
Inp	3191.00		NIST
Tboil	684.26	K	Relay (1.0) Calculated Property
Tc	967.42	K	Relay (1.0) Calculated Property
Tfus	363.74	K	Relay (1.0) Calculated Property
Vc	1.127	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[991.61; 1056.48]	J/mol×K	[968.56; 1191.22]
Cp,gas	991.61	J/mol×K	968.56	Joback Calculated Property
Cp,gas	1005.30	J/mol×K	1005.67	Joback Calculated Property
Cp,gas	1017.75	J/mol×K	1042.78	Joback Calculated Property
Cp,gas	1029.03	J/mol×K	1079.89	Joback Calculated Property
Cp,gas	1039.20	J/mol×K	1117.00	Joback Calculated Property
Cp,gas	1048.33	J/mol×K	1154.11	Joback Calculated Property
Cp,gas	1056.48	J/mol×K	1191.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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