- InChI
- InChI=1S/C8H13N/c1-3-7-5-6-8(4-2)9-7/h5-6,9H,3-4H2,1-2H3
- InChI Key
- CIKZQBMEPDKJHF-UHFFFAOYSA-N
- Formula
- C8H13N
- SMILES
- CCc1ccc(CC)[nH]1
- Molecular Weight1
- 123.20
- CAS
- 766-95-0
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4490 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -26.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.658 | Crippen Calculated Property | |
| McVol | 114.100 | ml/mol | McGowan Calculated Property |
| Pc | 3326.47 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1204.00; 1204.00] |
|
|
| Inp | 1204.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Tboil | 459.20 | K | NIST |
| Tc | 672.91 | K | Relay (1.0) Calculated Property |
| Tfus | 271.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 2,5-diethyl-.
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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