- InChI
- InChI=1S/C14H21BrO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3
- InChI Key
- DIWZVAHZEOFSLS-UHFFFAOYSA-N
- Formula
- C14H21BrO
- SMILES
-
CC(C)(C)c1cc(Br)c(O)c(C(C)(C)C
)c1 - Molecular Weight1
- 285.22
- CAS
- 20834-61-1
- Other Names
-
- Phenol, 2-bromo-4,6-bis(1,1-dimethylethyl)-
- 2-Bromo-4,6-di-t-butylphenol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 25.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.750 | Crippen Calculated Property | |
| McVol | 207.730 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Tboil | 696.68 | K | Joback Calculated Property |
| Tc | 938.99 | K | Joback Calculated Property |
| Tfus | 475.36 | K | Joback Calculated Property |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.70; 633.45] | J/mol×K | [696.68; 938.99] | 
|
| Cp,gas | 551.70 | J/mol×K | 696.68 | Joback Calculated Property |
| Cp,gas | 567.42 | J/mol×K | 737.06 | Joback Calculated Property |
| Cp,gas | 582.07 | J/mol×K | 777.45 | Joback Calculated Property |
| Cp,gas | 595.83 | J/mol×K | 817.83 | Joback Calculated Property |
| Cp,gas | 608.86 | J/mol×K | 858.22 | Joback Calculated Property |
| Cp,gas | 621.34 | J/mol×K | 898.60 | Joback Calculated Property |
| Cp,gas | 633.45 | J/mol×K | 938.99 | Joback Calculated Property |
| η | [0.0000111; 0.0002806] | Pa×s | [475.36; 696.68] |
|
| η | 0.0002806 | Pa×s | 475.36 | Joback Calculated Property |
| η | 0.0001348 | Pa×s | 512.25 | Joback Calculated Property |
| η | 0.0000715 | Pa×s | 549.13 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 586.02 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 622.91 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 659.79 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 696.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-4,6-di-tert-butylphenol.
Sources
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