- InChI
- InChI=1S/C7H6Br2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
- InChI Key
- DPKKOVGCHDUSAI-UHFFFAOYSA-N
- Formula
- C7H6Br2
- SMILES
- Cc1cc(Br)cc(Br)c1
- Molecular Weight1
- 249.93
- CAS
- 1611-92-3
- Other Names
-
- 1,3 Dibromo -5-methyl benzene
- 3,5-Dibromotoluene
- Toluene, 3,5-dibromo-
- 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 | 0.3783 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 88.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.520 | Crippen Calculated Property | |
| McVol | 120.730 | ml/mol | McGowan Calculated Property |
| Pc | 4749.69 | kPa | Joback Calculated Property |
| Tboil | 519.20 | K | NIST |
| Tc | 725.64 | K | Relay (1.0) Calculated Property |
| Tfus | 315.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.12; 248.21] | J/mol×K | [528.52; 781.02] | 
|
| Cp,gas | 203.12 | J/mol×K | 528.52 | Joback Calculated Property |
| Cp,gas | 212.22 | J/mol×K | 570.60 | Joback Calculated Property |
| Cp,gas | 220.62 | J/mol×K | 612.69 | Joback Calculated Property |
| Cp,gas | 228.36 | J/mol×K | 654.77 | Joback Calculated Property |
| Cp,gas | 235.51 | J/mol×K | 696.85 | Joback Calculated Property |
| Cp,gas | 242.11 | J/mol×K | 738.94 | Joback Calculated Property |
| Cp,gas | 248.21 | J/mol×K | 781.02 | Joback Calculated Property |
| η | [0.0003145; 0.0014758] | Pa×s | [339.71; 528.52] |
|
| η | 0.0014758 | Pa×s | 339.71 | Joback Calculated Property |
| η | 0.0010226 | Pa×s | 371.18 | Joback Calculated Property |
| η | 0.0007504 | Pa×s | 402.65 | Joback Calculated Property |
| η | 0.0005759 | Pa×s | 434.12 | Joback Calculated Property |
| η | 0.0004581 | Pa×s | 465.58 | Joback Calculated Property |
| η | 0.0003751 | Pa×s | 497.05 | Joback Calculated Property |
| η | 0.0003145 | Pa×s | 528.52 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [381.82; 553.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39603e+01 | |||
| Coefficient B | -4.05185e+03 | |||
| Coefficient C | -8.54740e+01 | |||
| Temperature range, min. | 381.82 | |||
| Temperature range, max. | 553.96 | |||
| Pvap | 1.33 | kPa | 381.82 | Calculated Property |
| Pvap | 3.05 | kPa | 400.95 | Calculated Property |
| Pvap | 6.36 | kPa | 420.07 | Calculated Property |
| Pvap | 12.25 | kPa | 439.20 | Calculated Property |
| Pvap | 22.05 | kPa | 458.33 | Calculated Property |
| Pvap | 37.46 | kPa | 477.45 | Calculated Property |
| Pvap | 60.60 | kPa | 496.58 | Calculated Property |
| Pvap | 93.92 | kPa | 515.71 | Calculated Property |
| Pvap | 140.24 | kPa | 534.83 | Calculated Property |
| Pvap | 202.65 | kPa | 553.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dibromo-5-methyl-.
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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