- InChI
- InChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3
- InChI Key
- LOYZVRIHVZEDMW-UHFFFAOYSA-N
- Formula
- C5H9Br
- SMILES
- CC(C)=CCBr
- Molecular Weight1
- 149.03
- CAS
- 870-63-3
- Other Names
-
- 1-Bromo-3-methyl-2-butene
- 1-Bromo-3-methyl-but-2-ene
- 3,3-Dimethylallyl bromide
- 3-Methyl-2-butenyl bromide
- 3-Methylcrotyl bromide
- Isoprenyl bromide
- Prenyl bromide
- «gamma»,«gamma»-Dimethylallyl bromide
- «gamma»,«gamma»-Dimethylallyl bromide
- 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).
- 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).
- Pvap : Vapor 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° | 77.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen 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 | 384.00 | K | Joback Calculated Property |
| Tc | 582.88 | K | Joback Calculated Property |
| Tfus | 186.87 | K | Joback Calculated Property |
| Vc | 0.358 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.47; 193.86] | J/mol×K | [384.00; 582.88] | 
|
| Cp,gas | 146.47 | J/mol×K | 384.00 | Joback Calculated Property |
| Cp,gas | 155.60 | J/mol×K | 417.15 | Joback Calculated Property |
| Cp,gas | 164.20 | J/mol×K | 450.29 | Joback Calculated Property |
| Cp,gas | 172.29 | J/mol×K | 483.44 | Joback Calculated Property |
| Cp,gas | 179.91 | J/mol×K | 516.59 | Joback Calculated Property |
| Cp,gas | 187.09 | J/mol×K | 549.73 | Joback Calculated Property |
| Cp,gas | 193.86 | J/mol×K | 582.88 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 332.70 | K | 8.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [292.92; 409.87] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57518e+01 | |||
| Coefficient B | -3.75827e+03 | |||
| Coefficient C | -4.98900e+01 | |||
| Temperature range, min. | 292.92 | |||
| Temperature range, max. | 409.87 | |||
| Pvap | 1.33 | kPa | 292.92 | Calculated Property |
| Pvap | 2.92 | kPa | 305.91 | Calculated Property |
| Pvap | 5.94 | kPa | 318.91 | Calculated Property |
| Pvap | 11.30 | kPa | 331.90 | Calculated Property |
| Pvap | 20.33 | kPa | 344.90 | Calculated Property |
| Pvap | 34.80 | kPa | 357.89 | Calculated Property |
| Pvap | 57.04 | kPa | 370.89 | Calculated Property |
| Pvap | 89.94 | kPa | 383.88 | Calculated Property |
| Pvap | 137.08 | kPa | 396.88 | Calculated Property |
| Pvap | 202.67 | kPa | 409.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 1-bromo-3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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