- InChI
- InChI=1S/C7H6BrCl/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2
- InChI Key
- DDVSFIUKWUTKES-UHFFFAOYSA-N
- Formula
- C7H6BrCl
- SMILES
- ClCc1ccccc1Br
- Molecular Weight1
- 205.48
- CAS
- 578-51-8
- 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).
- 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 | 0.3530 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 41.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.188 | Crippen Calculated Property | |
| McVol | 115.470 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Inp | [1244.00; 1244.00] |
|
|
| Inp | 1244.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Tboil | 507.13 | K | Relay (1.0) Calculated Property |
| Tc | 736.97 | K | Relay (1.0) Calculated Property |
| Tfus | 283.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.405 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.64; 243.74] | J/mol×K | [494.81; 734.55] |
|
| Cp,gas | 195.64 | J/mol×K | 494.81 | Joback Calculated Property |
| Cp,gas | 205.32 | J/mol×K | 534.77 | Joback Calculated Property |
| Cp,gas | 214.28 | J/mol×K | 574.72 | Joback Calculated Property |
| Cp,gas | 222.55 | J/mol×K | 614.68 | Joback Calculated Property |
| Cp,gas | 230.19 | J/mol×K | 654.64 | Joback Calculated Property |
| Cp,gas | 237.24 | J/mol×K | 694.60 | Joback Calculated Property |
| Cp,gas | 243.74 | J/mol×K | 734.55 | Joback Calculated Property |
| η | [0.0003139; 0.0020778] | Pa×s | [297.31; 494.81] |
|
| η | 0.0020778 | Pa×s | 297.31 | Joback Calculated Property |
| η | 0.0012960 | Pa×s | 330.23 | Joback Calculated Property |
| η | 0.0008806 | Pa×s | 363.14 | Joback Calculated Property |
| η | 0.0006381 | Pa×s | 396.06 | Joback Calculated Property |
| η | 0.0004857 | Pa×s | 428.98 | Joback Calculated Property |
| η | 0.0003844 | Pa×s | 461.89 | Joback Calculated Property |
| η | 0.0003139 | Pa×s | 494.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-(chloromethyl)-.
Sources
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