- 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)NC(=O)c1ccccc1
- Molecular Weight1
- 177.25
- Other Names
-
- Benzamide, N-tert-butyl-
- N-t-Butylbenzamide
- N-tert-Butylbenzamide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5166 | Relay (1.0) Calculated Property | |
| ΔfG° | 117.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.215 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Tboil | 533.50 | K | Relay (1.0) Calculated Property |
| Tc | 765.07 | K | Relay (1.0) Calculated Property |
| Tfus | 407.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.23; 495.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.93400e+01 | |||
| Coefficient B | 1.14396e+00 | |||
| Coefficient C | -8.07500e-04 | |||
| Coefficient D | 2.18560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 253.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 303.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 345.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 381.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 412.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 438.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 460.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 479.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.68 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(1,1-dimethylethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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