- InChI
- InChI=1S/C8H9Br/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
- InChI Key
- QOGHRLGTXVMRLM-UHFFFAOYSA-N
- Formula
- C8H9Br
- SMILES
- Cc1ccc(Br)cc1C
- Molecular Weight1
- 185.06
- CAS
- 583-71-1
- Other Names
-
- 1-Bromo-3,4-dimethylbenzene
- 3,4-Dimethylbromobenzene
- 3,4-Dimethylphenyl bromide
- 3,4-Xylyl bromide
- 4-Bromo-1,2-dimethylbenzene
- 4-Bromo-1,2-xylene
- 4-Bromo-o-xylene
- 4-Bromo-ortho-xylene
- o-Xylene, 4-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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3643 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 53.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | 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 |
| Tboil | [480.00; 487.70] | K |
|
| Tboil | 487.70 | K | NIST |
| Tboil | 480.00 ± 1.00 | K | NIST |
| Tc | 710.14 | K | Relay (1.0) Calculated Property |
| Tfus | [272.90; 272.95] | K |
|
| Tfus | 272.95 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 272.90 | K | NIST |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
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 | [0.0021559; 0.0002542] | Pa×s | [272.92; 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 272.92 | |||
| Temperature range, max. | 501.71 | |||
| η | 0.0021559 | Pa×s | 272.92 | Calculated Property |
| η | 0.0014460 | Pa×s | 298.35 | Calculated Property |
| η | 0.0010326 | Pa×s | 323.77 | Calculated Property |
| η | 0.0007745 | Pa×s | 349.19 | Calculated Property |
| η | 0.0006040 | Pa×s | 374.61 | Calculated Property |
| η | 0.0004861 | Pa×s | 400.03 | Calculated Property |
| η | 0.0004016 | Pa×s | 425.45 | Calculated Property |
| η | 0.0003390 | Pa×s | 450.87 | Calculated Property |
| η | 0.0002913 | Pa×s | 476.29 | Calculated Property |
| η | 0.0002542 | Pa×s | 501.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [359.12; 520.00] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41300e+01 | |||
| Coefficient B | -3.90915e+03 | |||
| Coefficient C | -7.67170e+01 | |||
| Temperature range, min. | 359.12 | |||
| Temperature range, max. | 520.00 | |||
| Pvap | 1.33 | kPa | 359.12 | Calculated Property |
| Pvap | 3.04 | kPa | 377.00 | Calculated Property |
| Pvap | 6.32 | kPa | 394.87 | Calculated Property |
| Pvap | 12.14 | kPa | 412.75 | Calculated Property |
| Pvap | 21.85 | kPa | 430.62 | Calculated Property |
| Pvap | 37.17 | kPa | 448.50 | Calculated Property |
| Pvap | 60.20 | kPa | 466.37 | Calculated Property |
| Pvap | 93.48 | kPa | 484.25 | Calculated Property |
| Pvap | 139.89 | kPa | 502.12 | Calculated Property |
| Pvap | 202.63 | kPa | 520.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-bromo-1,2-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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