- InChI
- InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3
- InChI Key
- AVMHMVJVHYGDOO-NSCUHMNNSA-N
- Formula
- C4H7Br
- SMILES
- C/C=C/CBr
- Molecular Weight1
- 135.00
- CAS
- 4784-77-4
- Other Names
-
- 1-Bromo-2-butene
- 1-Crotyl bromide
- 1-bromobut-2-ene
- 2-Butenyl bromide
- Crotonyl bromide
- Crotyl bromide
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3038 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.957 | Crippen Calculated Property | |
| McVol | 80.420 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Tboil | [371.15; 377.50] | K |
|
| Tboil | 377.50 ± 1.50 | K | NIST |
| Tboil | 371.15 ± 2.00 | K | NIST |
| Tc | 566.23 | K | Relay (1.0) Calculated Property |
| Tfus | 207.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.292 | 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 286.00 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [90.32; 204.18] | 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 | -6.73900e+00 | |||
| Coefficient B | 4.42020e-01 | |||
| Coefficient C | -3.49000e-04 | |||
| Coefficient D | 1.17900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 90.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 111.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 129.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 144.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 157.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 169.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 179.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 188.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 196.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 204.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032305; 0.0002468] | Pa×s | [189.56; 390.22] |
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 | -1.07367e+01 | |||
| Coefficient B | 9.48100e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 189.56 | |||
| Temperature range, max. | 390.22 | |||
| η | 0.0032305 | Pa×s | 189.56 | Calculated Property |
| η | 0.0019084 | Pa×s | 211.86 | Calculated Property |
| η | 0.0012463 | Pa×s | 234.15 | Calculated Property |
| η | 0.0008765 | Pa×s | 256.45 | Calculated Property |
| η | 0.0006521 | Pa×s | 278.74 | Calculated Property |
| η | 0.0005069 | Pa×s | 301.04 | Calculated Property |
| η | 0.0004079 | Pa×s | 323.33 | Calculated Property |
| η | 0.0003376 | Pa×s | 345.63 | Calculated Property |
| η | 0.0002859 | Pa×s | 367.92 | Calculated Property |
| η | 0.0002468 | Pa×s | 390.22 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 203.81] | kPa | [282.12; 400.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53332e+01 | |||
| Coefficient B | -3.55050e+03 | |||
| Coefficient C | -4.61370e+01 | |||
| Temperature range, min. | 282.12 | |||
| Temperature range, max. | 400.62 | |||
| Pvap | 1.33 | kPa | 282.12 | Calculated Property |
| Pvap | 2.95 | kPa | 295.29 | Calculated Property |
| Pvap | 6.04 | kPa | 308.45 | Calculated Property |
| Pvap | 11.53 | kPa | 321.62 | Calculated Property |
| Pvap | 20.76 | kPa | 334.79 | Calculated Property |
| Pvap | 35.49 | kPa | 347.95 | Calculated Property |
| Pvap | 58.04 | kPa | 361.12 | Calculated Property |
| Pvap | 91.23 | kPa | 374.29 | Calculated Property |
| Pvap | 138.49 | kPa | 387.45 | Calculated Property |
| Pvap | 203.81 | kPa | 400.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 1-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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