- InChI
- InChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4,8H,1-3H3
- InChI Key
- WTMJHBZSSSDBFQ-UHFFFAOYSA-N
- Formula
- C7H11N
- SMILES
- Cc1c[nH]c(C)c1C
- Molecular Weight1
- 109.17
- CAS
- 3855-78-5
- Other Names
-
- 2,3,4-trimethyl-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 | 0.3720 | Relay (... Calculated Property | |
| ΔfG° | 144.77 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -13.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 58.31 | kJ/mol | Relay (... Calculated Property |
| IE | 7.64 | eV | Relay (... Calculated Property |
| log10WS | -1.25 | Relay (... Calculated Property | |
| logPoct/wat | 1.458 | Crippen Calculated Property | |
| McVol | 100.010 | ml/mol | McGowan Calculated Property |
| Pc | 4197.52 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 472.53 | K | Relay (... Calculated Property |
| Tc | 684.16 | K | Relay (... Calculated Property |
| Tfus | 354.74 | K | Relay (... Calculated Property |
| Vc | 0.368 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trimethylpyrrole.
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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