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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.39	kJ/mol	Joback Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
logPoct/wat	5.195		Crippen Calculated Property
McVol	254.330	ml/mol	McGowan Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST
Tboil	678.59	K	Relay (1.0) Calculated Property
Tfus	385.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.66; 736.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.05470e+01
Coefficient B			1.46474e+00
Coefficient C			-9.27980e-04
Coefficient D			2.20660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.66	J/mol×K	273.00	Calculated Property
Cp,gas	391.27	J/mol×K	353.78	Calculated Property
Cp,gas	458.83	J/mol×K	434.56	Calculated Property
Cp,gas	518.04	J/mol×K	515.33	Calculated Property
Cp,gas	569.59	J/mol×K	596.11	Calculated Property
Cp,gas	614.17	J/mol×K	676.89	Calculated Property
Cp,gas	652.50	J/mol×K	757.67	Calculated Property
Cp,gas	685.26	J/mol×K	838.44	Calculated Property
Cp,gas	713.15	J/mol×K	919.22	Calculated Property
Cp,gas	736.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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