- InChI
- InChI=1S/C8H13N/c1-8(2,3)7-5-4-6-9-7/h4-6,9H,1-3H3
- InChI Key
- AJPCQTXGHLEGAY-UHFFFAOYSA-N
- Formula
- C8H13N
- SMILES
- CC(C)(C)c1ccc[nH]1
- Molecular Weight1
- 123.20
- CAS
- 5398-58-3
- 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 | 0.3252 | Relay (... Calculated Property | |
| ΔfG° | 157.81 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -29.33 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 55.85 | kJ/mol | Relay (... Calculated Property |
| IE | 7.95 ± 0.05 | eV | NIST |
| log10WS | -2.17 | Relay (... Calculated Property | |
| logPoct/wat | 1.830 | Crippen Calculated Property | |
| McVol | 114.100 | ml/mol | McGowan Calculated Property |
| Pc | 3299.08 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 456.37 | K | Relay (... Calculated Property |
| Tc | 670.38 | K | Relay (... Calculated Property |
| Tfus | 279.21 | K | Relay (... Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole,2-(1,1-dimethylethyl)-.
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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