Chemical Properties of Benzamide, N-(2-iodo-4-methylphenyl)-3-methoxy-

InChI

InChI=1S/C15H14INO2/c1-10-6-7-14(13(16)8-10)17-15(18)11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,17,18)

InChI Key

LVEFVYSATMNZOR-UHFFFAOYSA-N

Formula

C15H14INO2

SMILES

COc1cccc(C(=O)Nc2ccc(C)cc2I)c1

Molecular Weight¹

367.18

• 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	0.6948		Relay (1.0) Calculated Property
ΔfG°	184.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-84.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.81	kJ/mol	Joback Calculated Property
ΔvapH°	104.53	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	3.861		Crippen Calculated Property
McVol	217.930	ml/mol	McGowan Calculated Property
Pc	2490.03	kPa	Joback Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	663.64	K	Relay (1.0) Calculated Property
Tc	973.14	K	Relay (1.0) Calculated Property
Tfus	407.28	K	Relay (1.0) Calculated Property
Vc	0.746	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.59; 616.52]	J/mol×K	[830.50; 1090.02]
Cp,gas	558.59	J/mol×K	830.50	Joback Calculated Property
Cp,gas	570.96	J/mol×K	873.75	Joback Calculated Property
Cp,gas	582.16	J/mol×K	917.01	Joback Calculated Property
Cp,gas	592.25	J/mol×K	960.26	Joback Calculated Property
Cp,gas	601.30	J/mol×K	1003.52	Joback Calculated Property
Cp,gas	609.37	J/mol×K	1046.77	Joback Calculated Property
Cp,gas	616.52	J/mol×K	1090.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-(2-iodo-4-methylphenyl)-3-methoxy-.

Sources

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

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