- InChI
- InChI=1S/C10H9N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8,11H
- InChI Key
- IRTLROCMFSDSNF-UHFFFAOYSA-N
- Formula
- C10H9N
- SMILES
- c1ccc(-c2ccc[nH]2)cc1
- Molecular Weight1
- 143.19
- CAS
- 3042-22-6
- Other Names
-
- Pyrrole, 2-phenyl-
- 2-Phenylpyrrole
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.3716 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5360.50 ± 5.40 | kJ/mol | NIST |
| ΔfG° | 268.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 220.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.200 | Crippen Calculated Property | |
| McVol | 118.520 | ml/mol | McGowan Calculated Property |
| Pc | 4646.20 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 546.67 | K | Relay (1.0) Calculated Property |
| Tc | 802.33 | K | Relay (1.0) Calculated Property |
| Tfus | [403.00; 403.00] | K |
|
| Tfus | 403.00 ± 2.00 | K | NIST |
| Tfus | 403.00 ± 2.00 | K | NIST |
| Vc | 0.453 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 2-phenyl-.
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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