- InChI
- InChI=1S/C8H13N/c1-4-8-5-6(2)9-7(8)3/h5,9H,4H2,1-3H3
- InChI Key
- MSXUEMBOMBFOMG-UHFFFAOYSA-N
- Formula
- C8H13N
- SMILES
- CCc1cc(C)[nH]c1C
- Molecular Weight1
- 123.20
- CAS
- 69687-78-1
- Other Names
-
- 3-ethyl-2,5-dimethyl-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 | 0.4262 | Relay (... Calculated Property | |
| ΔfG° | 135.38 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -32.23 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.05 | kJ/mol | Relay (... Calculated Property |
| IE | 7.65 | eV | Relay (... Calculated Property |
| log10WS | -1.63 | Relay (... Calculated Property | |
| logPoct/wat | 1.712 | Crippen Calculated Property | |
| McVol | 114.100 | ml/mol | McGowan Calculated Property |
| Pc | 3450.08 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1119.00 | NIST | |
| Tboil | 468.76 | K | Relay (... Calculated Property |
| Tc | 676.00 | K | Relay (... Calculated Property |
| Tfus | 317.67 | K | Relay (... Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 3-ethyl-2,5-dimethyl-.
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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