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

385.48

• 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).
• 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
ΔfH°gas	-708.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.78	kJ/mol	Joback Calculated Property
ΔvapH°	118.64	kJ/mol	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	1314.65	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	969.03	K	Relay (1.0) Calculated Property
Tfus	357.47	K	Relay (1.0) Calculated Property
Vc	1.128	m3/kmol	Relay (1.0) Calculated Property

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[985.79; 1049.92]	J/mol×K	[950.69; 1170.48]
Cp,gas	985.79	J/mol×K	950.69	Joback Calculated Property
Cp,gas	999.45	J/mol×K	987.32	Joback Calculated Property
Cp,gas	1011.84	J/mol×K	1023.95	Joback Calculated Property
Cp,gas	1023.02	J/mol×K	1060.58	Joback Calculated Property
Cp,gas	1033.05	J/mol×K	1097.22	Joback Calculated Property
Cp,gas	1041.99	J/mol×K	1133.85	Joback Calculated Property
Cp,gas	1049.92	J/mol×K	1170.48	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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