- InChI
- InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
- InChI Key
- YTLQFZVCLXFFRK-UHFFFAOYSA-N
- Formula
- C14H12N2
- SMILES
- c1ccc(Cc2nc3ccccc3[nH]2)cc1
- Molecular Weight1
- 208.26
- CAS
- 621-72-7
- Other Names
-
- 1H-Benzimidazole, 2-(phenylmethyl)-
- Bendazole
- Benzimidazole, 2-benzyl-
- 2-Benzylbenzimidazole
- Dibasol
- Dibazol
- Dibazole
- Tromasedan
- 2-Benzylbenziminazole
- 2-(Phenylmethyl)-1H-benzimidazole
- NSC 60020
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5294 | Relay (1.0) Calculated Property | |
| ΔfG° | 370.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 289.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 136.20 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 97.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.672 | Crippen Calculated Property | |
| McVol | 165.400 | ml/mol | McGowan Calculated Property |
| Pc | 4068.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 643.49 | K | Relay (1.0) Calculated Property |
| Tc | 942.56 | K | Relay (1.0) Calculated Property |
| Tfus | 493.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 134.50 ± 0.50 | kJ/mol | 402.50 | NIST |
Similar Compounds
Find more compounds similar to Bendazol.
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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