- InChI
- InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m0/s1
- InChI Key
- CRRUGYDDEMGVDY-ZETCQYMHSA-N
- Formula
- C8H9Br
- SMILES
- CC(Br)c1ccccc1
- Molecular Weight1
- 185.06
- CAS
- 1459-14-9
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 140.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 49.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 117.320 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Tboil | 476.20 | K | NIST |
| Tc | 708.92 | K | Joback Calculated Property |
| Tfus | 251.14 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.09; 276.09] | J/mol×K | [474.84; 708.92] | 
|
| Cp,gas | 213.09 | J/mol×K | 474.84 | Joback Calculated Property |
| Cp,gas | 225.68 | J/mol×K | 513.85 | Joback Calculated Property |
| Cp,gas | 237.36 | J/mol×K | 552.87 | Joback Calculated Property |
| Cp,gas | 248.20 | J/mol×K | 591.88 | Joback Calculated Property |
| Cp,gas | 258.23 | J/mol×K | 630.89 | Joback Calculated Property |
| Cp,gas | 267.51 | J/mol×K | 669.90 | Joback Calculated Property |
| Cp,gas | 276.09 | J/mol×K | 708.92 | Joback Calculated Property |
| η | [0.0002860; 0.0041027] | Pa×s | [251.14; 474.84] |
|
| η | 0.0041027 | Pa×s | 251.14 | Joback Calculated Property |
| η | 0.0019756 | Pa×s | 288.42 | Joback Calculated Property |
| η | 0.0011246 | Pa×s | 325.71 | Joback Calculated Property |
| η | 0.0007187 | Pa×s | 362.99 | Joback Calculated Property |
| η | 0.0004993 | Pa×s | 400.27 | Joback Calculated Property |
| η | 0.0003690 | Pa×s | 437.56 | Joback Calculated Property |
| η | 0.0002860 | Pa×s | 474.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 360.20 | K | 2.00 | NIST |
Similar Compounds
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Sources
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