- InChI
- InChI=1S/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
- InChI Key
- PURSZYWBIQIANP-UHFFFAOYSA-N
- Formula
- C7H6BrCl
- SMILES
- Clc1ccccc1CBr
- Molecular Weight1
- 205.48
- Other Names
-
- o-Chlorobenzyl bromide
- Toluene, «alpha»-bromo-o-chloro-
- 1-(bromomethyl)-2-chlorobenzene
- 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).
- 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 | 0.4081 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.235 | Crippen Calculated Property | |
| McVol | 115.470 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Inp | [1237.00; 1237.00] |
|
|
| Inp | 1237.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Tboil | 508.87 | K | Relay (1.0) Calculated Property |
| Tc | 729.40 | K | Relay (1.0) Calculated Property |
| Tfus | 307.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.70 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [126.66; 276.24] | 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 | -1.99900e+00 | |||
| Coefficient B | 5.75400e-01 | |||
| Coefficient C | -4.12960e-04 | |||
| Coefficient D | 1.15800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 126.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 179.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 200.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 218.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 234.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 247.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 258.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 267.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 276.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020778; 0.0002817] | Pa×s | [297.31; 514.40] |
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 | -1.09116e+01 | |||
| Coefficient B | 1.40782e+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. | 297.31 | |||
| Temperature range, max. | 514.40 | |||
| η | 0.0020778 | Pa×s | 297.31 | Calculated Property |
| η | 0.0014564 | Pa×s | 321.43 | Calculated Property |
| η | 0.0010728 | Pa×s | 345.55 | Calculated Property |
| η | 0.0008223 | Pa×s | 369.67 | Calculated Property |
| η | 0.0006513 | Pa×s | 393.79 | Calculated Property |
| η | 0.0005298 | Pa×s | 417.91 | Calculated Property |
| η | 0.0004409 | Pa×s | 442.03 | Calculated Property |
| η | 0.0003739 | Pa×s | 466.15 | Calculated Property |
| η | 0.0003223 | Pa×s | 490.27 | Calculated Property |
| η | 0.0002817 | Pa×s | 514.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-CHLOROBENZYL BROMIDE.
Sources
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