- InChI
- InChI=1S/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H3
- InChI Key
- VYUNLDVEMSMJNP-UHFFFAOYSA-N
- Formula
- C11H11N
- SMILES
- Cc1ccc(-n2cccc2)cc1
- Molecular Weight1
- 157.21
- CAS
- 827-60-1
- Other Names
-
- 1-(4-Methylphenyl)pyrrole
- 1-(4-methylphenyl)-1H-pyrrole
- 1-p-tolylpyrrole
- Pyrrole, 1-p-tolyl-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- 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 | 0.4091 | Relay (1.0) Calculated Property | |
| ΔfG° | 273.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 195.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.70 | kJ/mol | Experimental and computational thermochemistry of 1-phenylpyrrole and 1-(4-methylphenyl)pyrrole |
| ΔvapH° | 73.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.786 | Crippen Calculated Property | |
| McVol | 132.610 | ml/mol | McGowan Calculated Property |
| Pc | 3731.97 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 531.17 | K | Relay (1.0) Calculated Property |
| Tc | 774.84 | K | Relay (1.0) Calculated Property |
| Tfus | 323.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 1-(4-methylphenyl)-.
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
- Experimental and computational thermochemistry of 1-phenylpyrrole and 1-(4-methylphenyl)pyrrole
- McGowan Method
- NIST Webbook
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