- InChI
- InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3
- InChI Key
- JNXIFVSGXLGULI-UHFFFAOYSA-N
- Formula
- C12H13N
- SMILES
- Cc1ccc(C)n1-c1ccccc1
- Molecular Weight1
- 171.24
- CAS
- 83-24-9
- Other Names
-
- Pyrrole, 2,5-dimethyl-1-phenyl-
- 2,5-Dimethyl-1-phenylpyrrole
- 1-Phenyl-2,5-dimethylpyrrole
- 2,5-dimethyl-1-phenyl-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).
- 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 | 0.4531 | Relay (1.0) Calculated Property | |
| ΔfG° | 280.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 158.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.094 | Crippen Calculated Property | |
| McVol | 146.700 | ml/mol | McGowan Calculated Property |
| Pc | 3513.92 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 532.20 | K | Relay (1.0) Calculated Property |
| Tc | 790.96 | K | Relay (1.0) Calculated Property |
| Tfus | 322.65 ± 1.50 | K | NIST |
| Vc | 0.553 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 2,5-dimethyl-1-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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