- 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
- CAS
- 92636-36-7
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3869 | Relay (1.0) Calculated Property | |
| ΔfG° | 302.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 303.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 144.340 | ml/mol | McGowan Calculated Property |
| Pc | 4020.94 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 597.70 | K | Relay (1.0) Calculated Property |
| Tc | 861.60 | K | Relay (1.0) Calculated Property |
| Tfus | 373.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
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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