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

InChI

InChI=1S/C18H20INO/c1-3-4-5-14-7-9-15(10-8-14)18(21)20-17-11-6-13(2)12-16(17)19/h6-12H,3-5H2,1-2H3,(H,20,21)

InChI Key

NWJUWXIVNGCVLN-UHFFFAOYSA-N

Formula

C18H20INO

SMILES

CCCCc1ccc(C(=O)Nc2ccc(C)cc2I)cc1

Molecular Weight¹

393.26

• 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°	315.20	kJ/mol	Joback Calculated Property
ΔfH°gas	41.56	kJ/mol	Joback Calculated Property
ΔfusH°	40.39	kJ/mol	Joback Calculated Property
ΔvapH°	84.75	kJ/mol	Joback Calculated Property
log10WS	-6.71		Crippen Calculated Property
logPoct/wat	5.195		Crippen Calculated Property
McVol	254.330	ml/mol	McGowan Calculated Property
Pc	1932.13	kPa	Joback Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST
Tboil	876.72	K	Joback Calculated Property
Tc	1125.42	K	Joback Calculated Property
Tfus	543.67	K	Joback Calculated Property
Vc	0.957	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.04; 767.08]	J/mol×K	[876.72; 1125.42]
Cp,gas	699.04	J/mol×K	876.72	Joback Calculated Property
Cp,gas	712.81	J/mol×K	918.17	Joback Calculated Property
Cp,gas	725.49	J/mol×K	959.62	Joback Calculated Property
Cp,gas	737.16	J/mol×K	1001.07	Joback Calculated Property
Cp,gas	747.92	J/mol×K	1042.52	Joback Calculated Property
Cp,gas	757.86	J/mol×K	1083.97	Joback Calculated Property
Cp,gas	767.08	J/mol×K	1125.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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