- InChI
- InChI=1S/C5H9Br/c1-3-5(2)4-6/h3H,4H2,1-2H3/b5-3-
- InChI Key
- WZEXBDRUCFODAA-HWKANZROSA-N
- Formula
- C5H9Br
- SMILES
- C/C=C(\C)CBr
- Molecular Weight1
- 149.03
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.3007 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.348 | Crippen Calculated Property | |
| McVol | 94.510 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 401.04 | K | Relay (1.0) Calculated Property |
| Tc | 600.01 | K | Relay (1.0) Calculated Property |
| Tfus | 196.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.53; 193.92] | J/mol×K | [384.20; 583.18] | 
|
| Cp,gas | 146.53 | J/mol×K | 384.20 | Joback Calculated Property |
| Cp,gas | 155.66 | J/mol×K | 417.36 | Joback Calculated Property |
| Cp,gas | 164.25 | J/mol×K | 450.53 | Joback Calculated Property |
| Cp,gas | 172.35 | J/mol×K | 483.69 | Joback Calculated Property |
| Cp,gas | 179.97 | J/mol×K | 516.85 | Joback Calculated Property |
| Cp,gas | 187.15 | J/mol×K | 550.02 | Joback Calculated Property |
| Cp,gas | 193.92 | J/mol×K | 583.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 1-bromo-2-methyl-.
Sources
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