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

InChI

InChI=1S/C14H11FINO/c1-9-6-7-13(12(16)8-9)17-14(18)10-4-2-3-5-11(10)15/h2-8H,1H3,(H,17,18)

InChI Key

KXOHOUGEPPKILF-UHFFFAOYSA-N

Formula

C14H11FINO

SMILES

Cc1ccc(NC(=O)c2ccccc2F)c(I)c1

Molecular Weight¹

355.15

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.12	kJ/mol	Joback Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	3.991		Crippen Calculated Property
McVol	199.740	ml/mol	McGowan Calculated Property
Inp	[2376.00; 2376.00]
Inp	2376.00		NIST
Inp	2376.00		NIST
Tboil	636.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy 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	[238.00; 537.58]	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			-1.08200e+01
Coefficient B			1.09652e+00
Coefficient C			-7.26780e-04
Coefficient D			1.78660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.00	J/mol×K	273.00	Calculated Property
Cp,gas	294.05	J/mol×K	353.78	Calculated Property
Cp,gas	343.10	J/mol×K	434.56	Calculated Property
Cp,gas	385.69	J/mol×K	515.33	Calculated Property
Cp,gas	422.41	J/mol×K	596.11	Calculated Property
Cp,gas	453.82	J/mol×K	676.89	Calculated Property
Cp,gas	480.47	J/mol×K	757.67	Calculated Property
Cp,gas	502.94	J/mol×K	838.44	Calculated Property
Cp,gas	521.79	J/mol×K	919.22	Calculated Property
Cp,gas	537.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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.
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