- InChI
- InChI=1S/C6H7Br/c7-6-4-2-1-3-5-6/h2-6H,1H2
- InChI Key
- KZXYAVCLVOWUHC-UHFFFAOYSA-N
- Formula
- C6H7Br
- SMILES
- BrC1C=CCC=C1
- Molecular Weight1
- 159.02
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 98.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 29.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.266 | Crippen Calculated Property | |
| McVol | 93.440 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Inp | 1020.00 | NIST | |
| Tboil | 420.71 | K | Joback Calculated Property |
| Tc | 652.02 | K | Joback Calculated Property |
| Tfus | 226.08 | K | Joback Calculated Property |
| Vc | 0.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.64; 209.71] | J/mol×K | [420.71; 652.02] | 
|
| Cp,gas | 149.64 | J/mol×K | 420.71 | Joback Calculated Property |
| Cp,gas | 161.56 | J/mol×K | 459.26 | Joback Calculated Property |
| Cp,gas | 172.67 | J/mol×K | 497.81 | Joback Calculated Property |
| Cp,gas | 183.00 | J/mol×K | 536.36 | Joback Calculated Property |
| Cp,gas | 192.59 | J/mol×K | 574.91 | Joback Calculated Property |
| Cp,gas | 201.48 | J/mol×K | 613.47 | Joback Calculated Property |
| Cp,gas | 209.71 | J/mol×K | 652.02 | Joback Calculated Property |
| η | [0.0003605; 0.0033740] | Pa×s | [226.08; 420.71] |
|
| η | 0.0033740 | Pa×s | 226.08 | Joback Calculated Property |
| η | 0.0018395 | Pa×s | 258.52 | Joback Calculated Property |
| η | 0.0011482 | Pa×s | 290.96 | Joback Calculated Property |
| η | 0.0007877 | Pa×s | 323.39 | Joback Calculated Property |
| η | 0.0005789 | Pa×s | 355.83 | Joback Calculated Property |
| η | 0.0004478 | Pa×s | 388.27 | Joback Calculated Property |
| η | 0.0003605 | Pa×s | 420.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Cyclohexadiene, 6-bromo.
Sources
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