- InChI
- InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h4H,3,5H2,1-2H3
- InChI Key
- UNXURIHDFUQNOC-UHFFFAOYSA-N
- Formula
- C6H11Br
- SMILES
- CC(C)=CCCBr
- Molecular Weight1
- 163.06
- CAS
- 2270-59-9
- 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).
- 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° | 85.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.738 | Crippen Calculated Property | |
| McVol | 108.600 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Tboil | 406.88 | K | Joback Calculated Property |
| Tc | 604.16 | K | Joback Calculated Property |
| Tfus | 198.14 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.37; 237.25] | J/mol×K | [406.88; 604.16] | 
|
| Cp,gas | 182.37 | J/mol×K | 406.88 | Joback Calculated Property |
| Cp,gas | 192.88 | J/mol×K | 439.76 | Joback Calculated Property |
| Cp,gas | 202.80 | J/mol×K | 472.64 | Joback Calculated Property |
| Cp,gas | 212.17 | J/mol×K | 505.52 | Joback Calculated Property |
| Cp,gas | 221.01 | J/mol×K | 538.40 | Joback Calculated Property |
| Cp,gas | 229.36 | J/mol×K | 571.28 | Joback Calculated Property |
| Cp,gas | 237.25 | J/mol×K | 604.16 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [318.42; 452.38] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50173e+01 | |||
| Coefficient B | -3.81204e+03 | |||
| Coefficient C | -5.96200e+01 | |||
| Temperature range, min. | 318.42 | |||
| Temperature range, max. | 452.38 | |||
| Pvap | 1.33 | kPa | 318.42 | Calculated Property |
| Pvap | 2.97 | kPa | 333.30 | Calculated Property |
| Pvap | 6.09 | kPa | 348.19 | Calculated Property |
| Pvap | 11.65 | kPa | 363.07 | Calculated Property |
| Pvap | 20.96 | kPa | 377.96 | Calculated Property |
| Pvap | 35.78 | kPa | 392.84 | Calculated Property |
| Pvap | 58.35 | kPa | 407.73 | Calculated Property |
| Pvap | 91.43 | kPa | 422.61 | Calculated Property |
| Pvap | 138.27 | kPa | 437.50 | Calculated Property |
| Pvap | 202.65 | kPa | 452.38 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromo-2-methyl-2-pentene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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