- InChI
- InChI=1S/C6H11Br/c1-3-4-5-6(2)7/h3,6H,1,4-5H2,2H3
- InChI Key
- AIAXFFLNNULCFG-UHFFFAOYSA-N
- Formula
- C6H11Br
- SMILES
- C=CCCC(C)Br
- Molecular Weight1
- 163.06
- CAS
- 4558-27-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -35.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.64 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.736 | Crippen Calculated Property | |
| McVol | 108.600 | ml/mol | McGowan Calculated Property |
| Tboil | 414.98 | K | Relay (1.0) Calculated Property |
| Tc | 602.63 | K | Relay (1.0) Calculated Property |
| Tfus | 176.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.63; 309.97] | 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 | 9.52000e-01 | |||
| Coefficient B | 5.97920e-01 | |||
| Coefficient C | -4.00100e-04 | |||
| Coefficient D | 1.11200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 238.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 256.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 272.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 298.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 309.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054914; 0.0002971] | Pa×s | [200.42; 414.13] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08569e+01 | |||
| Coefficient B | 1.13284e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 200.42 | |||
| Temperature range, max. | 414.13 | |||
| η | 0.0054914 | Pa×s | 200.42 | Calculated Property |
| η | 0.0030176 | Pa×s | 224.17 | Calculated Property |
| η | 0.0018597 | Pa×s | 247.91 | Calculated Property |
| η | 0.0012473 | Pa×s | 271.66 | Calculated Property |
| η | 0.0008921 | Pa×s | 295.40 | Calculated Property |
| η | 0.0006706 | Pa×s | 319.15 | Calculated Property |
| η | 0.0005245 | Pa×s | 342.89 | Calculated Property |
| η | 0.0004234 | Pa×s | 366.64 | Calculated Property |
| η | 0.0003509 | Pa×s | 390.38 | Calculated Property |
| η | 0.0002971 | Pa×s | 414.13 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [313.72; 435.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59253e+01 | |||
| Coefficient B | -4.01267e+03 | |||
| Coefficient C | -5.71180e+01 | |||
| Temperature range, min. | 313.72 | |||
| Temperature range, max. | 435.18 | |||
| Pvap | 1.33 | kPa | 313.72 | Calculated Property |
| Pvap | 2.91 | kPa | 327.22 | Calculated Property |
| Pvap | 5.91 | kPa | 340.71 | Calculated Property |
| Pvap | 11.23 | kPa | 354.21 | Calculated Property |
| Pvap | 20.20 | kPa | 367.70 | Calculated Property |
| Pvap | 34.59 | kPa | 381.20 | Calculated Property |
| Pvap | 56.74 | kPa | 394.69 | Calculated Property |
| Pvap | 89.61 | kPa | 408.19 | Calculated Property |
| Pvap | 136.81 | kPa | 421.68 | Calculated Property |
| Pvap | 202.65 | kPa | 435.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromo-1-hexene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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