- InChI
- InChI=1S/C4H7Br/c1-3-4(2)5/h3-4H,1H2,2H3
- InChI Key
- XOTGLEGIDHZTIM-UHFFFAOYSA-N
- Formula
- C4H7Br
- SMILES
- C=CC(C)Br
- Molecular Weight1
- 135.00
- CAS
- 22037-73-6
- Other Names
-
- 3-Bromo-1-butene
- 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).
- 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 | 0.2624 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 12.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.956 | Crippen Calculated Property | |
| McVol | 80.420 | ml/mol | McGowan Calculated Property |
| Pc | 4546.92 | kPa | Joback Calculated Property |
| Tboil | 359.77 | K | Relay (1.0) Calculated Property |
| Tc | 537.18 | K | Relay (1.0) Calculated Property |
| Tfus | 167.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.302 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [94.20; 206.79] | 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 | 2.77000e+00 | |||
| Coefficient B | 4.07920e-01 | |||
| Coefficient C | -2.91300e-04 | |||
| Coefficient D | 8.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 94.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 132.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 147.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 160.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 172.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 182.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 191.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 199.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 206.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048063; 0.0002786] | Pa×s | [177.88; 383.67] |
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 | -1.06477e+01 | |||
| Coefficient B | 9.44520e+02 | |||
| 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. | 177.88 | |||
| Temperature range, max. | 383.67 | |||
| η | 0.0048063 | Pa×s | 177.88 | Calculated Property |
| η | 0.0026251 | Pa×s | 200.75 | Calculated Property |
| η | 0.0016226 | Pa×s | 223.61 | Calculated Property |
| η | 0.0010965 | Pa×s | 246.48 | Calculated Property |
| η | 0.0007920 | Pa×s | 269.34 | Calculated Property |
| η | 0.0006020 | Pa×s | 292.21 | Calculated Property |
| η | 0.0004761 | Pa×s | 315.07 | Calculated Property |
| η | 0.0003887 | Pa×s | 337.94 | Calculated Property |
| η | 0.0003256 | Pa×s | 360.80 | Calculated Property |
| η | 0.0002786 | Pa×s | 383.67 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 433.46] | kPa | [285.75; 401.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56399e+01 | |||
| Coefficient B | -2.94921e+03 | |||
| Coefficient C | -9.36450e+01 | |||
| Temperature range, min. | 285.75 | |||
| Temperature range, max. | 401.88 | |||
| Pvap | 1.33 | kPa | 285.75 | Calculated Property |
| Pvap | 3.50 | kPa | 298.65 | Calculated Property |
| Pvap | 8.21 | kPa | 311.56 | Calculated Property |
| Pvap | 17.50 | kPa | 324.46 | Calculated Property |
| Pvap | 34.43 | kPa | 337.36 | Calculated Property |
| Pvap | 63.27 | kPa | 350.27 | Calculated Property |
| Pvap | 109.68 | kPa | 363.17 | Calculated Property |
| Pvap | 180.83 | kPa | 376.07 | Calculated Property |
| Pvap | 285.36 | kPa | 388.98 | Calculated Property |
| Pvap | 433.46 | kPa | 401.88 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 3-bromo-.
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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