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

InChI

InChI=1S/C20H22FNO3/c1-2-3-4-7-13-25-20(24)16-10-8-9-15(14-16)19(23)22-18-12-6-5-11-17(18)21/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,22,23)

InChI Key

MBSOULYUNCVAOQ-UHFFFAOYSA-N

Formula

C20H22FNO3

SMILES

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

Molecular Weight¹

343.39

• 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	0.9317		Relay (1.0) Calculated Property
ΔfG°	-145.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-644.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.42	kJ/mol	Joback Calculated Property
ΔvapH°	106.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	4.815		Crippen Calculated Property
McVol	265.900	ml/mol	McGowan Calculated Property
Pc	1694.90	kPa	Joback Calculated Property
Inp	[2858.00; 2858.00]
Inp	2858.00		NIST
Inp	2858.00		NIST
Tboil	663.08	K	Relay (1.0) Calculated Property
Tc	947.61	K	Relay (1.0) Calculated Property
Tfus	362.93	K	Relay (1.0) Calculated Property
Vc	0.964	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.24; 878.22]	J/mol×K	[899.92; 1120.76]
Cp,gas	815.24	J/mol×K	899.92	Joback Calculated Property
Cp,gas	828.46	J/mol×K	936.73	Joback Calculated Property
Cp,gas	840.53	J/mol×K	973.53	Joback Calculated Property
Cp,gas	851.48	J/mol×K	1010.34	Joback Calculated Property
Cp,gas	861.39	J/mol×K	1047.15	Joback Calculated Property
Cp,gas	870.28	J/mol×K	1083.96	Joback Calculated Property
Cp,gas	878.22	J/mol×K	1120.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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