- InChI
- InChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3
- InChI Key
- WJKBPTLQJXKEHC-UHFFFAOYSA-N
- Formula
- C10H13Br
- SMILES
- Cc1cc(C)c(C)c(Br)c1C
- Molecular Weight1
- 213.11
- CAS
- 1646-53-3
- Other Names
-
- 1-Bromo-2,3,5,6-tetramethylbenzene
- 2,3,5,6-Tetramethylbromobenzene
- 3-Bromo-1,2,4,5-tetramethylbenzene
- 3-Bromodurene
- Bromodurene
- Duryl bromide
- 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).
- 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° | 121.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 3.683 | Crippen Calculated Property | |
| McVol | 145.500 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| Tboil | 540.96 | K | Joback Calculated Property |
| Tc | 766.39 | K | Joback Calculated Property |
| Tfus | 338.76 | K | Joback Calculated Property |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.48; 364.95] | J/mol×K | [540.96; 766.39] | 
|
| Cp,gas | 297.48 | J/mol×K | 540.96 | Joback Calculated Property |
| Cp,gas | 310.32 | J/mol×K | 578.53 | Joback Calculated Property |
| Cp,gas | 322.50 | J/mol×K | 616.10 | Joback Calculated Property |
| Cp,gas | 334.03 | J/mol×K | 653.68 | Joback Calculated Property |
| Cp,gas | 344.94 | J/mol×K | 691.25 | Joback Calculated Property |
| Cp,gas | 355.24 | J/mol×K | 728.82 | Joback Calculated Property |
| Cp,gas | 364.95 | J/mol×K | 766.39 | Joback Calculated Property |
| η | [0.0002311; 0.0010425] | Pa×s | [338.76; 540.96] |
|
| η | 0.0010425 | Pa×s | 338.76 | Joback Calculated Property |
| η | 0.0007239 | Pa×s | 372.46 | Joback Calculated Property |
| η | 0.0005341 | Pa×s | 406.16 | Joback Calculated Property |
| η | 0.0004128 | Pa×s | 439.86 | Joback Calculated Property |
| η | 0.0003310 | Pa×s | 473.56 | Joback Calculated Property |
| η | 0.0002733 | Pa×s | 507.26 | Joback Calculated Property |
| η | 0.0002311 | Pa×s | 540.96 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.20 | K | 0.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [376.75; 555.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35587e+01 | |||
| Coefficient B | -3.90043e+03 | |||
| Coefficient C | -8.28420e+01 | |||
| Temperature range, min. | 376.75 | |||
| Temperature range, max. | 555.78 | |||
| Pvap | 1.33 | kPa | 376.75 | Calculated Property |
| Pvap | 3.09 | kPa | 396.64 | Calculated Property |
| Pvap | 6.49 | kPa | 416.53 | Calculated Property |
| Pvap | 12.52 | kPa | 436.43 | Calculated Property |
| Pvap | 22.54 | kPa | 456.32 | Calculated Property |
| Pvap | 38.21 | kPa | 476.21 | Calculated Property |
| Pvap | 61.59 | kPa | 496.10 | Calculated Property |
| Pvap | 95.01 | kPa | 516.00 | Calculated Property |
| Pvap | 141.08 | kPa | 535.89 | Calculated Property |
| Pvap | 202.64 | kPa | 555.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 3-bromo-1,2,4,5-tetramethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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