- InChI
- InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
- InChI Key
- RRTLQRYOJOSPEA-UHFFFAOYSA-N
- Formula
- C9H11Br
- SMILES
- Cc1cc(C)c(Br)c(C)c1
- Molecular Weight1
- 199.09
- CAS
- 576-83-0
- Other Names
-
- 1-Bromo-2,4,6-trimethylbenzene
- 2,4,6-Trimethylbromobenzene
- 2,4,6-Trimethylphenyl bromide
- 2-Bromo-1,3,5-trimethylbenzene
- 2-Bromomesitylene
- Bromomesitylene
- Mesityl bromide
- Mesitylene, 2-bromo-
- NSC 8064
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 122.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 131.410 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Inp | [1239.50; 1254.00] |
|
|
| Inp | 1254.00 | NIST | |
| Inp | 1239.50 | NIST | |
| Tboil | [498.00; 498.20] | K |
|
| Tboil | 498.20 | K | NIST |
| Tboil | 498.00 | K | NIST |
| Tc | 741.49 | K | Joback Calculated Property |
| Tfus | 314.97 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.32; 317.20] | J/mol×K | [513.10; 741.49] |
|
| Cp,gas | 254.32 | J/mol×K | 513.10 | Joback Calculated Property |
| Cp,gas | 266.40 | J/mol×K | 551.16 | Joback Calculated Property |
| Cp,gas | 277.81 | J/mol×K | 589.23 | Joback Calculated Property |
| Cp,gas | 288.57 | J/mol×K | 627.29 | Joback Calculated Property |
| Cp,gas | 298.70 | J/mol×K | 665.36 | Joback Calculated Property |
| Cp,gas | 308.23 | J/mol×K | 703.42 | Joback Calculated Property |
| Cp,gas | 317.20 | J/mol×K | 741.49 | Joback Calculated Property |
| η | [0.0002530; 0.0012798] | Pa×s | [314.97; 513.10] |
|
| η | 0.0012798 | Pa×s | 314.97 | Joback Calculated Property |
| η | 0.0008593 | Pa×s | 347.99 | Joback Calculated Property |
| η | 0.0006182 | Pa×s | 381.01 | Joback Calculated Property |
| η | 0.0004687 | Pa×s | 414.04 | Joback Calculated Property |
| η | 0.0003702 | Pa×s | 447.06 | Joback Calculated Property |
| η | 0.0003021 | Pa×s | 480.08 | Joback Calculated Property |
| η | 0.0002530 | Pa×s | 513.10 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [379.20; 382.00] | K | [2.10; 2.70] |
|
| Tboilr | 379.20 | K | 2.10 | NIST |
| Tboilr | 382.00 ± 1.00 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [367.52; 530.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41588e+01 | |||
| Coefficient B | -3.99330e+03 | |||
| Coefficient C | -7.96360e+01 | |||
| Temperature range, min. | 367.52 | |||
| Temperature range, max. | 530.99 | |||
| Pvap | 1.33 | kPa | 367.52 | Calculated Property |
| Pvap | 3.04 | kPa | 385.68 | Calculated Property |
| Pvap | 6.31 | kPa | 403.85 | Calculated Property |
| Pvap | 12.12 | kPa | 422.01 | Calculated Property |
| Pvap | 21.82 | kPa | 440.17 | Calculated Property |
| Pvap | 37.12 | kPa | 458.34 | Calculated Property |
| Pvap | 60.14 | kPa | 476.50 | Calculated Property |
| Pvap | 93.41 | kPa | 494.66 | Calculated Property |
| Pvap | 139.83 | kPa | 512.83 | Calculated Property |
| Pvap | 202.64 | kPa | 530.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-bromo-1,3,5-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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