Chemical Properties of 2,6-Difluoro-3-methylbenzamide, N-(2-iodo-4-methylphenyl)-

InChI

InChI=1S/C15H12F2INO/c1-8-3-6-12(11(18)7-8)19-15(20)13-10(16)5-4-9(2)14(13)17/h3-7H,1-2H3,(H,19,20)

InChI Key

CVHORWASAROAIM-UHFFFAOYSA-N

Formula

C15H12F2INO

SMILES

Cc1ccc(NC(=O)c2c(F)ccc(C)c2F)c(I)c1

Molecular Weight¹

387.16

• 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	0.6742		Relay (1.0) Calculated Property
ΔfG°	-118.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-294.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.01	kJ/mol	Joback Calculated Property
ΔvapH°	101.38	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	4.439		Crippen Calculated Property
McVol	215.600	ml/mol	McGowan Calculated Property
Pc	2252.53	kPa	Joback Calculated Property
Inp	[2621.00; 2621.00]
Inp	2621.00		NIST
Inp	2621.00		NIST
Tboil	643.58	K	Relay (1.0) Calculated Property
Tc	960.35	K	Relay (1.0) Calculated Property
Tfus	428.87	K	Relay (1.0) Calculated Property
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.68; 601.29]	J/mol×K	[816.58; 1060.70]
Cp,gas	545.68	J/mol×K	816.58	Joback Calculated Property
Cp,gas	557.13	J/mol×K	857.27	Joback Calculated Property
Cp,gas	567.62	J/mol×K	897.95	Joback Calculated Property
Cp,gas	577.23	J/mol×K	938.64	Joback Calculated Property
Cp,gas	586.00	J/mol×K	979.33	Joback Calculated Property
Cp,gas	594.00	J/mol×K	1020.02	Joback Calculated Property
Cp,gas	601.29	J/mol×K	1060.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzamide, N-(2-iodo-4-methylphenyl)-.

Sources

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

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