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_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	0.9317		Relay (1.0) Calculated Property
ΔfH°gas	-644.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.01	kJ/mol	Joback Calculated Property
ΔvapH°	107.82	kJ/mol	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	1639.10	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	948.87	K	Relay (1.0) Calculated Property
Tfus	357.45	K	Relay (1.0) Calculated Property
Vc	0.965	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	[810.35; 873.09]	J/mol×K	[882.05; 1100.73]
Cp,gas	810.35	J/mol×K	882.05	Joback Calculated Property
Cp,gas	823.65	J/mol×K	918.50	Joback Calculated Property
Cp,gas	835.75	J/mol×K	954.94	Joback Calculated Property
Cp,gas	846.68	J/mol×K	991.39	Joback Calculated Property
Cp,gas	856.52	J/mol×K	1027.84	Joback Calculated Property
Cp,gas	865.31	J/mol×K	1064.28	Joback Calculated Property
Cp,gas	873.09	J/mol×K	1100.73	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

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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