- InChI
- InChI=1S/C11H15NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
- InChI Key
- HYWWTHOGCJXTRI-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CC(C)(C)N=C(O)c1ccccc1
- Molecular Weight1
- 177.24
- CAS
- 5894-65-5
- Other Names
-
- Benzamide, N-tert-butyl-
- N-tert-Butylbenzamide
- N-t-Butylbenzamide
- 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 | 0.6416 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -208.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.790 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Tboil | 552.52 | K | Relay (1.0) Calculated Property |
| Tc | 756.39 | K | Relay (1.0) Calculated Property |
| Tfus | 377.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(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
- Joback Method
- McGowan Method
- NIST Webbook
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