- InChI
- InChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3
- InChI Key
- AKXIIOLURNATOC-UHFFFAOYSA-N
- Formula
- C15H21NO
- SMILES
-
CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c
1O - Molecular Weight1
- 231.33
- CAS
- 1988-88-1
- Other Names
-
- Benzonitrile, 3,5-di-tert-butyl-4-hydroxy-
- 3,5-Di-t-butyl-4-hydroxybenzonitrile
- 3,5-Ditert-butyl-4-hydroxybenzonitrile
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 152.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 205.700 | ml/mol | McGowan Calculated Property |
| Pc | 2075.54 | kPa | Joback Calculated Property |
| Tboil | 755.48 | K | Joback Calculated Property |
| Tc | 993.41 | K | Joback Calculated Property |
| Tfus | 491.82 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.89; 668.47] | J/mol×K | [755.48; 993.41] | 
|
| Cp,gas | 590.89 | J/mol×K | 755.48 | Joback Calculated Property |
| Cp,gas | 605.44 | J/mol×K | 795.13 | Joback Calculated Property |
| Cp,gas | 619.13 | J/mol×K | 834.79 | Joback Calculated Property |
| Cp,gas | 632.13 | J/mol×K | 874.44 | Joback Calculated Property |
| Cp,gas | 644.58 | J/mol×K | 914.10 | Joback Calculated Property |
| Cp,gas | 656.64 | J/mol×K | 953.75 | Joback Calculated Property |
| Cp,gas | 668.47 | J/mol×K | 993.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-.
Sources
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