Chemical Properties of Alpha-benzamido-4-hydroxy-3,5-diiodohydrocinnamamide (CAS 195067-02-8)

InChI

InChI=1S/C16H14I2N2O3/c17-11-6-9(7-12(18)14(11)21)8-13(15(19)22)20-16(23)10-4-2-1-3-5-10/h1-7,13,21H,8H2,(H2,19,22)(H,20,23)

InChI Key

QJPXSFLBPXVGFN-UHFFFAOYSA-N

Formula

C16H14I2N2O3

SMILES

NC(=O)C(Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccccc1

Molecular Weight¹

536.10

CAS

195067-02-8

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[324.63; 693.85]	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			-1.80890e+01
Coefficient B			1.56760e+00
Coefficient C			-1.25188e-03
Coefficient D			3.96220e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.63	J/mol×K	273.00	Calculated Property
Cp,gas	397.35	J/mol×K	353.78	Calculated Property
Cp,gas	459.23	J/mol×K	434.56	Calculated Property
Cp,gas	511.51	J/mol×K	515.33	Calculated Property
Cp,gas	555.45	J/mol×K	596.11	Calculated Property
Cp,gas	592.30	J/mol×K	676.89	Calculated Property
Cp,gas	623.31	J/mol×K	757.67	Calculated Property
Cp,gas	649.74	J/mol×K	838.44	Calculated Property
Cp,gas	672.83	J/mol×K	919.22	Calculated Property
Cp,gas	693.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-benzamido-4-hydroxy-3,5-diiodohydrocinnamamide.

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

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