- InChI
- InChI=1S/C5H9Br/c1-3-4-5(2)6/h3-5H,1-2H3/b4-3+
- InChI Key
- LIPODSDLKCMVON-ONEGZZNKSA-N
- Formula
- C5H9Br
- SMILES
- CC=CC(C)Br
- Molecular Weight1
- 149.03
- CAS
- 1809-26-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.2969 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.346 | Crippen Calculated Property | |
| McVol | 94.510 | ml/mol | McGowan Calculated Property |
| Pc | 4062.13 | kPa | Joback Calculated Property |
| Tboil | 394.27 | K | Relay (1.0) Calculated Property |
| Tc | 567.63 | K | Relay (1.0) Calculated Property |
| Tfus | 195.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.22; 256.31] | 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 | -9.33000e+00 | |||
| Coefficient B | 5.42940e-01 | |||
| Coefficient C | -4.06600e-04 | |||
| Coefficient D | 1.29300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 160.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 180.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 197.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 211.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 224.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 236.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 246.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 256.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057494; 0.0002419] | Pa×s | [185.83; 408.53] |
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 | -1.09708e+01 | |||
| Coefficient B | 1.08008e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 185.83 | |||
| Temperature range, max. | 408.53 | |||
| η | 0.0057494 | Pa×s | 185.83 | Calculated Property |
| η | 0.0029041 | Pa×s | 210.57 | Calculated Property |
| η | 0.0016935 | Pa×s | 235.32 | Calculated Property |
| η | 0.0010942 | Pa×s | 260.06 | Calculated Property |
| η | 0.0007628 | Pa×s | 284.81 | Calculated Property |
| η | 0.0005633 | Pa×s | 309.55 | Calculated Property |
| η | 0.0004351 | Pa×s | 334.30 | Calculated Property |
| η | 0.0003482 | Pa×s | 359.04 | Calculated Property |
| η | 0.0002868 | Pa×s | 383.78 | Calculated Property |
| η | 0.0002419 | Pa×s | 408.53 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentene, 4-bromo-.
Sources
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