- InChI
- InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
- InChI Key
- QXISTPDUYKNPLU-UHFFFAOYSA-N
- Formula
- C8H9Br
- SMILES
- Cc1ccc(C)c(Br)c1
- Molecular Weight1
- 185.06
- CAS
- 553-94-6
- Other Names
-
- 1-Bromo-2,5-dimethylbenzene
- 2,5-Dimethylbromobenzene
- 2,5-Dimethylphenyl bromide
- 2,5-Xylyl bromide
- 2-Bromo-1,4-dimethylbenzene
- 2-Bromo-1,4-xylene
- 2-Bromo-p-xylene
- Bromo-p-xylene
- NSC 8051
- p-Xylene, 2-bromo-
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3612 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.066 | Crippen Calculated Property | |
| McVol | 117.320 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Inp | 1126.70 | NIST | |
| Tboil | [471.50; 472.70] | K |
|
| Tboil | 472.70 | K | NIST |
| Tboil | 471.50 ± 0.50 | K | NIST |
| Tc | 694.25 | K | Relay (1.0) Calculated Property |
| Tfus | 282.00 | K | NIST |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.91; 270.81] | J/mol×K | [485.24; 716.43] |
|
| Cp,gas | 212.91 | J/mol×K | 485.24 | Joback Calculated Property |
| Cp,gas | 224.18 | J/mol×K | 523.77 | Joback Calculated Property |
| Cp,gas | 234.76 | J/mol×K | 562.30 | Joback Calculated Property |
| Cp,gas | 244.68 | J/mol×K | 600.83 | Joback Calculated Property |
| Cp,gas | 253.98 | J/mol×K | 639.37 | Joback Calculated Property |
| Cp,gas | 262.68 | J/mol×K | 677.90 | Joback Calculated Property |
| Cp,gas | 270.81 | J/mol×K | 716.43 | Joback Calculated Property |
| η | [0.0002772; 0.0016069] | Pa×s | [291.18; 485.24] |
|
| η | 0.0016069 | Pa×s | 291.18 | Joback Calculated Property |
| η | 0.0010357 | Pa×s | 323.52 | Joback Calculated Property |
| η | 0.0007230 | Pa×s | 355.87 | Joback Calculated Property |
| η | 0.0005358 | Pa×s | 388.21 | Joback Calculated Property |
| η | 0.0004159 | Pa×s | 420.55 | Joback Calculated Property |
| η | 0.0003347 | Pa×s | 452.90 | Joback Calculated Property |
| η | 0.0002772 | Pa×s | 485.24 | Joback Calculated Property |
| ΔvapH | [50.90; 53.60] | kJ/mol | [395.00; 395.00] |
|
| ΔvapH | 50.90 | kJ/mol | 395.00 | NIST |
| ΔvapH | 53.60 | kJ/mol | 395.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.50 ± 1.50 | K | 3.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [346.72; 504.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40482e+01 | |||
| Coefficient B | -3.77470e+03 | |||
| Coefficient C | -7.24080e+01 | |||
| Temperature range, min. | 346.72 | |||
| Temperature range, max. | 504.46 | |||
| Pvap | 1.33 | kPa | 346.72 | Calculated Property |
| Pvap | 3.05 | kPa | 364.25 | Calculated Property |
| Pvap | 6.34 | kPa | 381.77 | Calculated Property |
| Pvap | 12.19 | kPa | 399.30 | Calculated Property |
| Pvap | 21.95 | kPa | 416.83 | Calculated Property |
| Pvap | 37.31 | kPa | 434.35 | Calculated Property |
| Pvap | 60.40 | kPa | 451.88 | Calculated Property |
| Pvap | 93.70 | kPa | 469.41 | Calculated Property |
| Pvap | 140.07 | kPa | 486.93 | Calculated Property |
| Pvap | 202.66 | kPa | 504.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-bromo-1,4-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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