- InChI
- InChI=1S/C16H13N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-12,17H
- InChI Key
- FSBPQTRUHOMNPG-UHFFFAOYSA-N
- Formula
- C16H13N
- SMILES
-
c1ccc(-c2c[nH]c(-c3ccccc3)c2)c
c1 - Molecular Weight1
- 219.28
- CAS
- 3274-56-4
- Other Names
-
- Pyrrole, 2,4-diphenyl-
- 2,4-Diphenylpyrrole
- 2,4-Diphenyl-1H-pyrrole
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4736 | Relay (1.0) Calculated Property | |
| ΔfG° | 375.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 309.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.867 | Crippen Calculated Property | |
| McVol | 179.300 | ml/mol | McGowan Calculated Property |
| Pc | 3334.98 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1790.00; 1790.00] |
|
|
| Inp | 1790.00 | NIST | |
| Inp | 1790.00 | NIST | |
| Inp | 1790.00 | NIST | |
| Tboil | 648.25 | K | Relay (1.0) Calculated Property |
| Tc | 935.80 | K | Relay (1.0) Calculated Property |
| Tfus | 407.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 2,4-diphenyl-.
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
- McGowan Method
- NIST Webbook
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