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_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
ΔfH°gas	-623.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.42	kJ/mol	Joback Calculated Property
ΔvapH°	104.08	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	1774.35	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	941.67	K	Relay (1.0) Calculated Property
Tfus	360.13	K	Relay (1.0) Calculated Property
Vc	0.910	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.26; 815.36]	J/mol×K	[859.17; 1078.99]
Cp,gas	753.26	J/mol×K	859.17	Joback Calculated Property
Cp,gas	766.43	J/mol×K	895.81	Joback Calculated Property
Cp,gas	778.40	J/mol×K	932.44	Joback Calculated Property
Cp,gas	789.23	J/mol×K	969.08	Joback Calculated Property
Cp,gas	798.96	J/mol×K	1005.72	Joback Calculated Property
Cp,gas	807.66	J/mol×K	1042.35	Joback Calculated Property
Cp,gas	815.36	J/mol×K	1078.99	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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