- 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° | 54.16 | 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; 1126.70] |
|
|
| Inp | 1126.70 | NIST | |
| Inp | 1126.70 | NIST | |
| Tboil | [471.50; 472.70] | K |
|
| Tboil | 472.70 | K | NIST |
| Tboil | 471.50 ± 0.50 | K | NIST |
| Tc | 698.82 | K | Relay (1.0) Calculated Property |
| Tfus | 282.00 | K | NIST |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [137.02; 316.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.50000e+00 | |||
| Coefficient B | 6.04140e-01 | |||
| Coefficient C | -3.79920e-04 | |||
| Coefficient D | 9.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 137.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 196.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 221.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 243.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 262.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 278.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 293.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 305.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 316.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018540; 0.0002542] | Pa×s | [282.00; 501.71] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08273e+01 | |||
| Coefficient B | 1.27940e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 282.00 | |||
| Temperature range, max. | 501.71 | |||
| η | 0.0018540 | Pa×s | 282.00 | Calculated Property |
| η | 0.0012916 | Pa×s | 306.41 | Calculated Property |
| η | 0.0009491 | Pa×s | 330.82 | Calculated Property |
| η | 0.0007276 | Pa×s | 355.24 | Calculated Property |
| η | 0.0005772 | Pa×s | 379.65 | Calculated Property |
| η | 0.0004709 | Pa×s | 404.06 | Calculated Property |
| η | 0.0003931 | Pa×s | 428.47 | Calculated Property |
| η | 0.0003347 | Pa×s | 452.88 | Calculated Property |
| η | 0.0002897 | Pa×s | 477.29 | Calculated Property |
| η | 0.0002542 | Pa×s | 501.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [346.72; 504.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [0.13; 102.11] | kPa | [310.70; 479.90] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49535e+01 | |||
| Coefficient B | -4.46593e+03 | |||
| Coefficient C | -4.74670e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 310.70 | |||
| Temperature range, max. | 479.90 | |||
| Pvap | 0.13 | kPa | 310.70 | Calculated Property |
| Pvap | 0.41 | kPa | 329.50 | Calculated Property |
| Pvap | 1.11 | kPa | 348.30 | Calculated Property |
| Pvap | 2.67 | kPa | 367.10 | Calculated Property |
| Pvap | 5.80 | kPa | 385.90 | Calculated Property |
| Pvap | 11.61 | kPa | 404.70 | Calculated Property |
| Pvap | 21.70 | kPa | 423.50 | Calculated Property |
| Pvap | 38.19 | kPa | 442.30 | Calculated Property |
| Pvap | 63.86 | kPa | 461.10 | Calculated Property |
| Pvap | 102.11 | kPa | 479.90 | 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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