- InChI
- InChI=1S/C10H13Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3
- InChI Key
- FDXXHPYFJDKWJS-UHFFFAOYSA-N
- Formula
- C10H13Br
- SMILES
- CC(C)(C)c1cccc(Br)c1
- Molecular Weight1
- 213.11
- CAS
- 3972-64-3
- Other Names
-
- m-bromo-tert-butylbenzene
- 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° | 153.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.747 | Crippen Calculated Property | |
| McVol | 145.500 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Tboil | 522.79 | K | Joback Calculated Property |
| Tc | 759.79 | K | Joback Calculated Property |
| Tfus | 303.62 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.75; 376.13] | J/mol×K | [522.79; 759.79] | 
|
| Cp,gas | 301.75 | J/mol×K | 522.79 | Joback Calculated Property |
| Cp,gas | 316.73 | J/mol×K | 562.29 | Joback Calculated Property |
| Cp,gas | 330.58 | J/mol×K | 601.79 | Joback Calculated Property |
| Cp,gas | 343.36 | J/mol×K | 641.29 | Joback Calculated Property |
| Cp,gas | 355.16 | J/mol×K | 680.79 | Joback Calculated Property |
| Cp,gas | 366.06 | J/mol×K | 720.29 | Joback Calculated Property |
| Cp,gas | 376.13 | J/mol×K | 759.79 | Joback Calculated Property |
| η | [0.0002372; 0.0026932] | Pa×s | [303.62; 522.79] |
|
| η | 0.0026932 | Pa×s | 303.62 | Joback Calculated Property |
| η | 0.0014454 | Pa×s | 340.15 | Joback Calculated Property |
| η | 0.0008753 | Pa×s | 376.68 | Joback Calculated Property |
| η | 0.0005792 | Pa×s | 413.20 | Joback Calculated Property |
| η | 0.0004098 | Pa×s | 449.73 | Joback Calculated Property |
| η | 0.0003055 | Pa×s | 486.26 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 522.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-tert-butylbromobenzene.
Sources
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