Chemical Properties of 3-Fluoro-5-trifluoromethylbenzamide, N-(2-iodo-4-methylphenyl)-

InChI

InChI=1S/C15H10F4INO/c1-8-2-3-13(12(20)4-8)21-14(22)9-5-10(15(17,18)19)7-11(16)6-9/h2-7H,1H3,(H,21,22)

InChI Key

CMUBXSHMRAQZNO-UHFFFAOYSA-N

Formula

C15H10F4INO

SMILES

Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(I)c1

Molecular Weight¹

423.14

• 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).
• 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
ΔfG°	-496.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-701.18	kJ/mol	Joback Calculated Property
ΔfusH°	37.14	kJ/mol	Joback Calculated Property
ΔvapH°	74.17	kJ/mol	Joback Calculated Property
log10WS	-6.51		Crippen Calculated Property
logPoct/wat	5.010		Crippen Calculated Property
McVol	219.140	ml/mol	McGowan Calculated Property
Pc	2137.41	kPa	Joback Calculated Property
Inp	[2362.00; 2362.00]
Inp	2362.00		NIST
Inp	2362.00		NIST
Tboil	806.91	K	Joback Calculated Property
Tc	1043.14	K	Joback Calculated Property
Tfus	527.16	K	Joback Calculated Property
Vc	0.850	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.65; 616.53]	J/mol×K	[806.91; 1043.14]
Cp,gas	564.65	J/mol×K	806.91	Joback Calculated Property
Cp,gas	575.23	J/mol×K	846.28	Joback Calculated Property
Cp,gas	584.91	J/mol×K	885.65	Joback Calculated Property
Cp,gas	593.79	J/mol×K	925.02	Joback Calculated Property
Cp,gas	601.96	J/mol×K	964.39	Joback Calculated Property
Cp,gas	609.51	J/mol×K	1003.77	Joback Calculated Property
Cp,gas	616.53	J/mol×K	1043.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzamide, N-(2-iodo-4-methylphenyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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