- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3645 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) 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 | 426.20 | K | NIST |
| Tc | 612.19 | K | Relay (1.0) Calculated Property |
| Tfus | 197.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.90; 307.09] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.24800e+00 | |||
| Coefficient B | 6.31940e-01 | |||
| Coefficient C | -4.60100e-04 | |||
| Coefficient D | 1.43500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 214.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 235.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 253.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 268.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 282.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 295.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 307.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [318.42; 452.38] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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