- InChI
- InChI=1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
- InChI Key
- WLPXNBYWDDYJTN-UHFFFAOYSA-N
- Formula
- C8H9Br
- SMILES
- Cc1cccc(Br)c1C
- Molecular Weight1
- 185.06
- CAS
- 576-23-8
- Other Names
-
- 1-Bromo-2,3-dimethylbenzene
- 3-Bromo-1,2-dimethylbenzene
- 3-Bromo-o-xylene
- 3-Bromo-ortho-xylene
- 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 | 0.3415 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | 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 | [484.50; 487.20] | K |
|
| Tboil | 487.20 | K | NIST |
| Tboil | 487.00 | K | NIST |
| Tboil | 484.50 ± 1.50 | K | NIST |
| Tc | 706.86 | K | Relay (1.0) Calculated Property |
| Tfus | 303.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [358.72; 519.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41286e+01 | |||
| Coefficient B | -3.90514e+03 | |||
| Coefficient C | -7.65780e+01 | |||
| Temperature range, min. | 358.72 | |||
| Temperature range, max. | 519.48 | |||
| Pvap | 1.33 | kPa | 358.72 | Calculated Property |
| Pvap | 3.04 | kPa | 376.58 | Calculated Property |
| Pvap | 6.32 | kPa | 394.44 | Calculated Property |
| Pvap | 12.14 | kPa | 412.31 | Calculated Property |
| Pvap | 21.85 | kPa | 430.17 | Calculated Property |
| Pvap | 37.17 | kPa | 448.03 | Calculated Property |
| Pvap | 60.21 | kPa | 465.89 | Calculated Property |
| Pvap | 93.49 | kPa | 483.76 | Calculated Property |
| Pvap | 139.90 | kPa | 501.62 | Calculated Property |
| Pvap | 202.65 | kPa | 519.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2,3-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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