- InChI
- InChI=1S/C14H20N2/c1-10(2)9-14(3,4)13-15-11-7-5-6-8-12(11)16-13/h5-8,10H,9H2,1-4H3,(H,15,16)
- InChI Key
- VXJPGFYLJDQASY-UHFFFAOYSA-N
- Formula
- C14H20N2
- SMILES
- CC(C)CC(C)(C)c1nc2ccccc2[nH]1
- Molecular Weight1
- 216.32
- CAS
- 116465-69-1
- 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 | 0.5331 | Relay (1.0) Calculated Property | |
| ΔfG° | 276.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 20.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.405 | Crippen Calculated Property | |
| McVol | 189.160 | ml/mol | McGowan Calculated Property |
| Pc | 2418.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 587.43 | K | Relay (1.0) Calculated Property |
| Tc | 840.91 | K | Relay (1.0) Calculated Property |
| Tfus | 380.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzimidazole, 2-(1,1,3-trimethylbutyl)-.
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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