Chemical Properties of 1-(4-Iodophenyl)pyrrole

InChI

InChI=1S/C10H8IN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

InChI Key

FMURNAZHVQDQQN-UHFFFAOYSA-N

Formula

C10H8IN

SMILES

Ic1ccc(-n2cccc2)cc1

Molecular Weight¹

269.08

• 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_sub : Sublimation pressure (kPa).
• 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

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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Psub	[1.07e-04; 1.24e-03]	kPa	[319.11; 341.17]
Psub	1.07e-04	kPa	319.11	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.12e-04	kPa	319.11	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.09e-04	kPa	319.11	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.42e-04	kPa	321.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.40e-04	kPa	321.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.37e-04	kPa	321.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.74e-04	kPa	323.18	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.69e-04	kPa	323.18	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.69e-04	kPa	323.18	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	2.10e-04	kPa	325.12	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	2.18e-04	kPa	325.12	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	2.16e-04	kPa	325.12	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	2.74e-04	kPa	327.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	2.70e-04	kPa	327.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	2.65e-04	kPa	327.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	3.36e-04	kPa	329.18	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	3.31e-04	kPa	329.18	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	3.29e-04	kPa	329.18	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	4.02e-04	kPa	331.11	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	4.21e-04	kPa	331.11	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	4.16e-04	kPa	331.11	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	5.20e-04	kPa	333.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	5.22e-04	kPa	333.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	5.08e-04	kPa	333.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	6.39e-04	kPa	335.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	6.28e-04	kPa	335.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	6.24e-04	kPa	335.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	7.78e-04	kPa	337.12	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	8.14e-04	kPa	337.12	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	8.06e-04	kPa	337.12	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.02e-03	kPa	339.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.01e-03	kPa	339.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	9.77e-04	kPa	339.19	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.24e-03	kPa	341.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.21e-03	kPa	341.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
Psub	1.21e-03	kPa	341.17	A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives

Similar Compounds

Find more compounds similar to 1-(4-Iodophenyl)pyrrole.

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
• A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
• McGowan Method
• NIST Webbook

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