- InChI
- InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
- InChI Key
- UPSXAPQYNGXVBF-UHFFFAOYSA-N
- Formula
- C4H9Br
- SMILES
- CCC(C)Br
- Molecular Weight1
- 137.02
- CAS
- 78-76-2
- Other Names
-
- (+/-)-2-Bromobutane
- 2-Bromobutane
- 2-Butyl bromide
- Methylethylbromomethane
- UN 2339
- sec-Butyl Bromide
- sec-C4H9Br
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3080 | KDB | |
| ΔcH°liquid | -2705.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | -5.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | [-156.00; -155.30] | kJ/mol |
|
| ΔfH°liquid | -156.00 | kJ/mol | NIST |
| ΔfH°liquid | -155.30 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 7.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.40; 34.80] | kJ/mol |
|
| ΔvapH° | 34.51 | kJ/mol | NIST |
| ΔvapH° | 34.50 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 34.47 ± 0.06 | kJ/mol | NIST |
| ΔvapH° | 34.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 34.40 ± 0.08 | kJ/mol | NIST |
| IE | [9.98; 10.04] | eV |
|
| IE | 10.01 ± 0.02 | eV | NIST |
| IE | 10.03 | eV | NIST |
| IE | 10.00 | eV | NIST |
| IE | 10.04 | eV | NIST |
| IE | 9.98 ± 0.01 | eV | NIST |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.180 | Crippen Calculated Property | |
| McVol | 84.720 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | 4300.00 | kPa | KDB |
| Inp | [660.00; 703.00] |
|
|
| Inp | 660.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | Outlier 703.00 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 674.00 | NIST | |
| Ip | [890.00; 913.00] |
|
|
| Ip | 900.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 890.00 | NIST | |
| Ip | 905.00 | NIST | |
| Tboil | [363.00; 364.50] | K |
|
| Tboil | 364.40 | K | KDB |
| Tboil | 364.20 | K | NIST |
| Tboil | 364.00 | K | NIST |
| Tboil | 364.00 | K | NIST |
| Tboil | 364.50 | K | NIST |
| Tboil | 363.00 ± 2.00 | K | NIST |
| Tboil | 363.00 ± 2.00 | K | NIST |
| Tboil | 364.45 ± 0.20 | K | NIST |
| Tboil | 364.40 ± 0.50 | K | NIST |
| Tc | 558.70 | K | KDB |
| Tfus | [160.50; 161.15] | K |
|
| Tfus | 161.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 161.00 | K | KDB |
| Tfus | 160.50 ± 0.02 | K | NIST |
| Vc | 0.316 | m3/kmol | KDB |
| Zc | 0.2920470 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [6.88; 6.88] | kJ/mol | [160.30; 160.30] |
|
| ΔfusH | 6.88 | kJ/mol | 160.30 | NIST |
| ΔfusH | 6.88 | kJ/mol | 160.30 | NIST |
| ΔvapH | [30.77; 33.90] | kJ/mol | [342.00; 364.50] |
|
| ΔvapH | 33.90 | kJ/mol | 342.00 | NIST |
| ΔvapH | 32.76 | kJ/mol | 364.40 | KDB |
| ΔvapH | 30.77 | kJ/mol | 364.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.01; 235.30] | 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 | 5.76100e+00 | |||
| Coefficient B | 4.27940e-01 | |||
| Coefficient C | -2.68400e-04 | |||
| Coefficient D | 7.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 126.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 146.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 164.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 180.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 194.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 206.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 217.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 226.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 235.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0111756; 0.0002779] | Pa×s | [160.88; 391.09] |
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 | -1.07699e+01 | |||
| Coefficient B | 1.00968e+03 | |||
| 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. | 160.88 | |||
| Temperature range, max. | 391.09 | |||
| η | 0.0111756 | Pa×s | 160.88 | Calculated Property |
| η | 0.0047248 | Pa×s | 186.46 | Calculated Property |
| η | 0.0024587 | Pa×s | 212.04 | Calculated Property |
| η | 0.0014726 | Pa×s | 237.62 | Calculated Property |
| η | 0.0009744 | Pa×s | 263.20 | Calculated Property |
| η | 0.0006937 | Pa×s | 288.78 | Calculated Property |
| η | 0.0005219 | Pa×s | 314.35 | Calculated Property |
| η | 0.0004099 | Pa×s | 339.93 | Calculated Property |
| η | 0.0003330 | Pa×s | 365.51 | Calculated Property |
| η | 0.0002779 | Pa×s | 391.09 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [265.06; 388.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46914e+01 | |||
| Coefficient B | -3.31459e+03 | |||
| Coefficient C | -3.49450e+01 | |||
| Temperature range, min. | 265.06 | |||
| Temperature range, max. | 388.32 | |||
| Pvap | 1.33 | kPa | 265.06 | Calculated Property |
| Pvap | 2.99 | kPa | 278.76 | Calculated Property |
| Pvap | 6.17 | kPa | 292.45 | Calculated Property |
| Pvap | 11.82 | kPa | 306.15 | Calculated Property |
| Pvap | 21.26 | kPa | 319.84 | Calculated Property |
| Pvap | 36.26 | kPa | 333.54 | Calculated Property |
| Pvap | 59.00 | kPa | 347.23 | Calculated Property |
| Pvap | 92.15 | kPa | 360.93 | Calculated Property |
| Pvap | 138.85 | kPa | 374.62 | Calculated Property |
| Pvap | 202.67 | kPa | 388.32 | Calculated Property |
| Pvap | [8.77e-06; 4558.92] | kPa | [161.25; 567.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 7.51791e+01 | |||
| Coefficient B | -6.62032e+03 | |||
| Coefficient C | -9.03951e+00 | |||
| Coefficient D | 6.95378e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 161.25 | |||
| Temperature range, max. | 567.00 | |||
| Pvap | 8.77e-06 | kPa | 161.25 | Calculated Property |
| Pvap | 8.34e-03 | kPa | 206.33 | Calculated Property |
| Pvap | 0.51 | kPa | 251.42 | Calculated Property |
| Pvap | 7.45 | kPa | 296.50 | Calculated Property |
| Pvap | 48.25 | kPa | 341.58 | Calculated Property |
| Pvap | 189.38 | kPa | 386.67 | Calculated Property |
| Pvap | 539.83 | kPa | 431.75 | Calculated Property |
| Pvap | 1246.45 | kPa | 476.83 | Calculated Property |
| Pvap | 2499.44 | kPa | 521.92 | Calculated Property |
| Pvap | 4558.92 | kPa | 567.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [160.45; 364.55] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 5.77177e-02 | |||
| Coefficient B | -1.10700e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 160.45 | |||
| Temperature range, max. | 364.55 | |||
| γ | 0.04 | N/m | 160.45 | Calculated Property |
| γ | 0.04 | N/m | 183.13 | Calculated Property |
| γ | 0.03 | N/m | 205.81 | Calculated Property |
| γ | 0.03 | N/m | 228.48 | Calculated Property |
| γ | 0.03 | N/m | 251.16 | Calculated Property |
| γ | 0.03 | N/m | 273.84 | Calculated Property |
| γ | 0.02 | N/m | 296.52 | Calculated Property |
| γ | 0.02 | N/m | 319.19 | Calculated Property |
| γ | 0.02 | N/m | 341.87 | Calculated Property |
| γ | 0.02 | N/m | 364.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-bromo-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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