Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzamide, N-(1-naphthyl)-

InChI

InChI=1S/C18H12F3NO2/c1-24-17-15(20)12(9-13(19)16(17)21)18(23)22-14-8-4-6-10-5-2-3-7-11(10)14/h2-9H,1H3,(H,22,23)

InChI Key

DSTHAANBQHQFGV-UHFFFAOYSA-N

Formula

C18H12F3NO2

SMILES

COc1c(F)c(F)cc(C(=O)Nc2cccc3ccccc23)c1F

Molecular Weight¹

331.29

• 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	0.7573		Relay (1.0) Calculated Property
ΔfG°	-344.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-538.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.66	kJ/mol	Joback Calculated Property
ΔvapH°	109.28	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	4.518		Crippen Calculated Property
McVol	220.230	ml/mol	McGowan Calculated Property
Pc	2085.03	kPa	Joback Calculated Property
Inp	[2670.00; 2670.00]
Inp	2670.00		NIST
Inp	2670.00		NIST
Tboil	681.60	K	Relay (1.0) Calculated Property
Tc	1008.54	K	Relay (1.0) Calculated Property
Tfus	446.05	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.09; 682.46]	J/mol×K	[832.75; 1057.28]
Cp,gas	625.09	J/mol×K	832.75	Joback Calculated Property
Cp,gas	636.80	J/mol×K	870.17	Joback Calculated Property
Cp,gas	647.58	J/mol×K	907.59	Joback Calculated Property
Cp,gas	657.48	J/mol×K	945.02	Joback Calculated Property
Cp,gas	666.56	J/mol×K	982.44	Joback Calculated Property
Cp,gas	674.87	J/mol×K	1019.86	Joback Calculated Property
Cp,gas	682.46	J/mol×K	1057.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzamide, N-(1-naphthyl)-.

Sources

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

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