- InChI
- InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
- InChI Key
- KQJQPCJDKBKSLV-UHFFFAOYSA-N
- Formula
- C8H7Br
- SMILES
- C=Cc1cccc(Br)c1
- Molecular Weight1
- 183.04
- CAS
- 2039-86-3
- Other Names
-
- 3-Bromostyrene
- m-Bromostyrene
- 3-BrC6H4CH=CH2
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 | 0.3121 | Relay (1.0) Calculated Property | |
| PAff | 822.40 | kJ/mol | NIST |
| BasG | 793.50 | kJ/mol | NIST |
| ΔfG° | 221.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 182.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.092 | Crippen Calculated Property | |
| McVol | 113.020 | ml/mol | McGowan Calculated Property |
| Pc | 4114.41 | kPa | Joback Calculated Property |
| Tboil | 479.54 | K | Relay (1.0) Calculated Property |
| Tc | 713.97 | K | Relay (1.0) Calculated Property |
| Tfus | 234.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.05; 250.42] | J/mol×K | [476.94; 712.22] | 
|
| Cp,gas | 196.05 | J/mol×K | 476.94 | Joback Calculated Property |
| Cp,gas | 206.94 | J/mol×K | 516.15 | Joback Calculated Property |
| Cp,gas | 217.04 | J/mol×K | 555.37 | Joback Calculated Property |
| Cp,gas | 226.38 | J/mol×K | 594.58 | Joback Calculated Property |
| Cp,gas | 235.03 | J/mol×K | 633.79 | Joback Calculated Property |
| Cp,gas | 243.03 | J/mol×K | 673.00 | Joback Calculated Property |
| Cp,gas | 250.42 | J/mol×K | 712.22 | Joback Calculated Property |
| η | [0.0002911; 0.0019793] | Pa×s | [276.90; 476.94] |
|
| η | 0.0019793 | Pa×s | 276.90 | Joback Calculated Property |
| η | 0.0012112 | Pa×s | 310.24 | Joback Calculated Property |
| η | 0.0008153 | Pa×s | 343.58 | Joback Calculated Property |
| η | 0.0005886 | Pa×s | 376.92 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 410.26 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 443.60 | Joback Calculated Property |
| η | 0.0002911 | Pa×s | 476.94 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [347.70; 365.20] | K | [0.40; 2.70] |
|
| Tboilr | 347.70 | K | 0.40 | NIST |
| Tboilr | 365.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-3-ethenyl-.
Sources
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