- InChI
- InChI=1S/C11H14N2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)
- InChI Key
- ZQWHWRQRGKZTSE-UHFFFAOYSA-N
- Formula
- C11H14N2
- SMILES
- CC(C)(C)c1nc2ccccc2[nH]1
- Molecular Weight1
- 174.24
- CAS
- 24425-13-6
- Other Names
-
- Benzimidazole, 2-tert-butyl-
- 2-tert-Butylbenzimidazole
- 2-(1,1-dimethylethyl)-1H-benzimidazole
- 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 | 0.4600 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 71.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.378 | Crippen Calculated Property | |
| McVol | 146.890 | ml/mol | McGowan Calculated Property |
| Pc | 3121.98 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 555.62 | K | Relay (1.0) Calculated Property |
| Tc | 813.28 | K | Relay (1.0) Calculated Property |
| Tfus | 443.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Benzimidazole, 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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