- InChI
- InChI=1S/C21H27NO/c1-20(2,3)17-12-14-18(15-13-17)22(21(4,5)6)19(23)16-10-8-7-9-11-16/h7-15H,1-6H3
- InChI Key
- UPVMUZDIHKYDAL-UHFFFAOYSA-N
- Formula
- C21H27NO
- SMILES
-
CC(C)(C)c1ccc(N(C(=O)c2ccccc2)
C(C)(C)C)cc1 - Molecular Weight1
- 309.45
- 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 | 0.6756 | Relay (... Calculated Property | |
| ΔfG° | 328.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.80 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.06 | kJ/mol | Relay (... Calculated Property |
| IE | 7.85 | eV | Relay (... Calculated Property |
| log10WS | -5.68 | Relay (... Calculated Property | |
| logPoct/wat | 5.429 | Crippen Calculated Property | |
| McVol | 270.780 | ml/mol | McGowan Calculated Property |
| Pc | 1615.47 | kPa | Joback Calculated Property |
| Tboil | 633.05 | K | Relay (... Calculated Property |
| Tc | 908.64 | K | Relay (... Calculated Property |
| Tfus | 359.87 | K | Relay (... Calculated Property |
| Vc | 1.003 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.16; 903.98] | J/mol×K | [798.07; 1034.47] | 
|
| Cp,gas | 811.16 | J/mol×K | 798.07 | Joback Calculated Property |
| Cp,gas | 829.61 | J/mol×K | 837.47 | Joback Calculated Property |
| Cp,gas | 846.66 | J/mol×K | 876.87 | Joback Calculated Property |
| Cp,gas | 862.46 | J/mol×K | 916.27 | Joback Calculated Property |
| Cp,gas | 877.18 | J/mol×K | 955.67 | Joback Calculated Property |
| Cp,gas | 890.96 | J/mol×K | 995.07 | Joback Calculated Property |
| Cp,gas | 903.98 | J/mol×K | 1034.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzanilide, n,4-di-tert-butyl-.
Sources
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