- InChI
- InChI=1S/C6H7Br/c7-6-4-2-1-3-5-6/h2,4-5H,1,3H2
- InChI Key
- IYBFVRUXEKUNNQ-UHFFFAOYSA-N
- Formula
- C6H7Br
- SMILES
- BrC1=CCCC=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° | 96.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 37.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.615 | Crippen Calculated Property | |
| McVol | 93.440 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Inp | 980.00 | NIST | |
| Tboil | 430.36 | K | Joback Calculated Property |
| Tc | 663.66 | K | Joback Calculated Property |
| Tfus | 242.84 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.28; 204.62] | J/mol×K | [430.36; 663.66] | 
|
| Cp,gas | 149.28 | J/mol×K | 430.36 | Joback Calculated Property |
| Cp,gas | 160.29 | J/mol×K | 469.24 | Joback Calculated Property |
| Cp,gas | 170.54 | J/mol×K | 508.13 | Joback Calculated Property |
| Cp,gas | 180.06 | J/mol×K | 547.01 | Joback Calculated Property |
| Cp,gas | 188.88 | J/mol×K | 585.90 | Joback Calculated Property |
| Cp,gas | 197.06 | J/mol×K | 624.78 | Joback Calculated Property |
| Cp,gas | 204.62 | J/mol×K | 663.66 | Joback Calculated Property |
| η | [0.0003474; 0.0035125] | Pa×s | [242.84; 430.36] |
|
| η | 0.0035125 | Pa×s | 242.84 | Joback Calculated Property |
| η | 0.0019173 | Pa×s | 274.09 | Joback Calculated Property |
| η | 0.0011846 | Pa×s | 305.35 | Joback Calculated Property |
| η | 0.0008004 | Pa×s | 336.60 | Joback Calculated Property |
| η | 0.0005781 | Pa×s | 367.85 | Joback Calculated Property |
| η | 0.0004393 | Pa×s | 399.11 | Joback Calculated Property |
| η | 0.0003474 | Pa×s | 430.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclohexadiene, 2-bromo.
Sources
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