- InChI
- InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2
- InChI Key
- DMAYBPBPEUFIHJ-UHFFFAOYSA-N
- Formula
- C4H7Br
- SMILES
- C=CCCBr
- Molecular Weight1
- 135.00
- CAS
- 5162-44-7
- Other Names
-
- 1-Bromo-3-butene
- 3-Butenyl bromide
- 4-Bromo-1-butene
- 4-Bromobutene
- 4-Bromobutene-(1)
- 4-bromobut-1-ene
- Homoallyl 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3166 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | NIST |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.957 | Crippen Calculated Property | |
| McVol | 80.420 | ml/mol | McGowan Calculated Property |
| Pc | 4498.26 | kPa | Joback Calculated Property |
| Inp | 695.00 | NIST | |
| Tboil | [371.60; 371.70] | K |
|
| Tboil | 371.70 | K | NIST |
| Tboil | 371.60 | K | NIST |
| Tc | 556.98 | K | Relay (1.0) Calculated Property |
| Tfus | 159.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [94.51; 206.25] | 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 | 4.45200e+00 | |||
| Coefficient B | 4.02000e-01 | |||
| Coefficient C | -2.88100e-04 | |||
| Coefficient D | 8.79000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 94.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 147.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 160.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 171.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 181.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 190.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 198.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 206.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029889; 0.0002941] | Pa×s | [192.88; 380.61] |
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 | -1.05137e+01 | |||
| Coefficient B | 9.06700e+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. | 192.88 | |||
| Temperature range, max. | 380.61 | |||
| η | 0.0029889 | Pa×s | 192.88 | Calculated Property |
| η | 0.0018892 | Pa×s | 213.74 | Calculated Property |
| η | 0.0012956 | Pa×s | 234.60 | Calculated Property |
| η | 0.0009450 | Pa×s | 255.46 | Calculated Property |
| η | 0.0007229 | Pa×s | 276.31 | Calculated Property |
| η | 0.0005742 | Pa×s | 297.17 | Calculated Property |
| η | 0.0004700 | Pa×s | 318.03 | Calculated Property |
| η | 0.0003944 | Pa×s | 338.89 | Calculated Property |
| η | 0.0003377 | Pa×s | 359.75 | Calculated Property |
| η | 0.0002941 | Pa×s | 380.61 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 204.59] | kPa | [281.57; 395.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37847e+01 | |||
| Coefficient B | -2.57474e+03 | |||
| Coefficient C | -9.08090e+01 | |||
| Temperature range, min. | 281.57 | |||
| Temperature range, max. | 395.02 | |||
| Pvap | 1.33 | kPa | 281.57 | Calculated Property |
| Pvap | 3.08 | kPa | 294.18 | Calculated Property |
| Pvap | 6.44 | kPa | 306.78 | Calculated Property |
| Pvap | 12.43 | kPa | 319.39 | Calculated Property |
| Pvap | 22.40 | kPa | 331.99 | Calculated Property |
| Pvap | 38.07 | kPa | 344.60 | Calculated Property |
| Pvap | 61.53 | kPa | 357.20 | Calculated Property |
| Pvap | 95.22 | kPa | 369.81 | Calculated Property |
| Pvap | 141.90 | kPa | 382.41 | Calculated Property |
| Pvap | 204.59 | kPa | 395.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 4-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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