- InChI
- InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3
- InChI Key
- NNQDMQVWOWCVEM-NSCUHMNNSA-N
- Formula
- C3H5Br
- SMILES
- C/C=C/Br
- Molecular Weight1
- 120.98
- 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 | 0.2362 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 43.90 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 9.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.915 | Crippen Calculated Property | |
| McVol | 66.330 | ml/mol | McGowan Calculated Property |
| Pc | 5213.15 | kPa | Joback Calculated Property |
| Tboil | 327.99 | K | Relay (1.0) Calculated Property |
| Tc | 521.62 | K | Relay (1.0) Calculated Property |
| Tfus | 176.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.253 | 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 | [69.11; 152.59] | 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 | -5.83000e+00 | |||
| Coefficient B | 3.47020e-01 | |||
| Coefficient C | -2.94600e-04 | |||
| Coefficient D | 1.06000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 69.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 84.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 98.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 109.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 118.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 126.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 134.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 140.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 146.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 152.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028576; 0.0002321] | Pa×s | [178.29; 374.69] |
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 | -1.06474e+01 | |||
| Coefficient B | 8.53940e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 178.29 | |||
| Temperature range, max. | 374.69 | |||
| η | 0.0028576 | Pa×s | 178.29 | Calculated Property |
| η | 0.0016950 | Pa×s | 200.11 | Calculated Property |
| η | 0.0011141 | Pa×s | 221.93 | Calculated Property |
| η | 0.0007895 | Pa×s | 243.76 | Calculated Property |
| η | 0.0005920 | Pa×s | 265.58 | Calculated Property |
| η | 0.0004638 | Pa×s | 287.40 | Calculated Property |
| η | 0.0003760 | Pa×s | 309.22 | Calculated Property |
| η | 0.0003135 | Pa×s | 331.04 | Calculated Property |
| η | 0.0002672 | Pa×s | 352.86 | Calculated Property |
| η | 0.0002321 | Pa×s | 374.69 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-Bromo-1-propene.
Sources
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