- InChI
- InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
- InChI Key
- MPPPKRYCTPRNTB-UHFFFAOYSA-N
- Formula
- C4H9Br
- SMILES
- CCCCBr
- Molecular Weight1
- 137.02
- CAS
- 109-65-9
- Other Names
-
- 1-BROMOBUTANE
- BUTYL BROMIDE
- UN 1126
- n-Butyl bromide
- n-C4H9Br
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- csound,fluid : Speed of sound in fluid (m/s).
- 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 | 0.3390 | KDB | |
| ΔcH°liquid | -2716.50 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -2.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | [-148.00; -143.80] | kJ/mol |
|
| ΔfH°liquid | -148.00 | kJ/mol | NIST |
| ΔfH°liquid | -143.80 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 9.12 | kJ/mol | Thermod... |
| ΔvapH° | [36.40; 36.71] | kJ/mol |
|
| ΔvapH° | 36.71 | kJ/mol | NIST |
| ΔvapH° | 36.40 | kJ/mol | NIST |
| ΔvapH° | 36.40 | kJ/mol | NIST |
| ΔvapH° | 36.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 36.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 36.70 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 36.70 ± 0.10 | kJ/mol | NIST |
| IE | [10.11; 10.15] | eV |
|
| IE | 10.13 ± 0.02 | eV | NIST |
| IE | 10.11 | eV | NIST |
| IE | 10.12 | eV | NIST |
| IE | 10.15 | eV | NIST |
| IE | 10.13 ± 0.01 | eV | NIST |
| IE | 10.13 ± 0.01 | eV | NIST |
| log10WS | [-2.37; -2.37] |
|
|
| log10WS | -2.37 | Aq. Sol... | |
| log10WS | -2.37 | Estimat... | |
| logPoct/wat | 2.181 | Crippen Calculated Property | |
| McVol | 84.720 | ml/mol | McGowan Calculated Property |
| Pc | 4260.00 | kPa | KDB |
| Inp | [698.00; 753.00] |
|
|
| Inp | 701.90 | NIST | |
| Inp | 703.60 | NIST | |
| Inp | 712.20 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 706.90 | NIST | |
| Inp | 705.40 | NIST | |
| Inp | 703.50 | NIST | |
| Inp | 731.40 | NIST | |
| Inp | 730.40 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 716.80 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | Outlier 753.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 734.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 740.50 | NIST | |
| Inp | 727.50 | NIST | |
| Inp | 734.00 | NIST | |
| Inp | 719.00 | NIST | |
| I | [944.00; 975.00] |
|
|
| I | Outlier 975.00 | NIST | |
| I | 960.00 | NIST | |
| I | 948.00 | NIST | |
| I | 948.00 | NIST | |
| I | 944.00 | NIST | |
| I | 955.00 | NIST | |
| I | 948.00 | NIST | |
| I | 955.00 | NIST | |
| S°liquid | 327.02 | J/mol×K | NIST |
| Tboil | 374.80 | K | KDB |
| Tc | [569.50; 577.50] | K |
|
| Tc | 569.50 | K | KDB |
| Tc | 577.50 | K | NIST |
| Tfus | [160.40; 385.40] | K |
|
| Tfus | 161.00 | K | KDB |
| Tfus | 161.02 | K | Aq. Sol... |
| Tfus | Outlier 385.40 | K | NIST |
| Tfus | 160.70 ± 1.50 | K | NIST |
| Tfus | 160.80 ± 0.40 | K | NIST |
| Tfus | 160.40 ± 0.20 | K | NIST |
| Tfus | 160.75 ± 0.30 | K | NIST |
| Vc | 0.322 | m3/kmol | KDB |
| Zc | 0.2892410 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.53; 169.62] | J/mol×K | [357.08; 542.61] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 130 140 150 160 170 400 450 500 | ||||
| Cp,gas | 127.53 | J/mol×K | 357.08 | Joback Calculated Property |
| Cp,gas | 135.38 | J/mol×K | 388.00 | Joback Calculated Property |
| Cp,gas | 142.88 | J/mol×K | 418.92 | Joback Calculated Property |
| Cp,gas | 150.04 | J/mol×K | 449.84 | Joback Calculated Property |
| Cp,gas | 156.87 | J/mol×K | 480.76 | Joback Calculated Property |
| Cp,gas | 163.39 | J/mol×K | 511.68 | Joback Calculated Property |
| Cp,gas | 169.62 | J/mol×K | 542.61 | Joback Calculated Property |
| Cp,liquid | [151.00; 175.47] | J/mol×K | [284.15; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 150 155 160 165 170 175 300 320 340 | ||||
| Cp,liquid | 159.45 | J/mol×K | 284.15 | Heat Ca... |
| Cp,liquid | 159.98 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 160.53 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 161.01 | J/mol×K | 291.65 | Heat Ca... |
| Cp,liquid | 152.21 | J/mol×K | 292.30 | NIST |
| Cp,liquid | 161.52 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 162.08 | J/mol×K | 296.65 | Heat Ca... |
| Cp,liquid | 151.00 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 162.20 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 162.60 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 163.08 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 163.72 | J/mol×K | 304.15 | Heat Ca... |
| Cp,liquid | 164.22 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 164.78 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 165.34 | J/mol×K | 311.65 | Heat Ca... |
| Cp,liquid | 165.94 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 166.49 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 167.09 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 167.67 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 168.29 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 168.83 | J/mol×K | 326.65 | Heat Ca... |
| Cp,liquid | 169.45 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 170.09 | J/mol×K | 331.65 | Heat Ca... |
| Cp,liquid | 170.63 | J/mol×K | 334.15 | Heat Ca... |
| Cp,liquid | 171.00 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 171.94 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 172.57 | J/mol×K | 341.65 | Heat Ca... |
| Cp,liquid | 173.26 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 173.89 | J/mol×K | 346.65 | Heat Ca... |
| Cp,liquid | 174.51 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 175.19 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 175.47 | J/mol×K | 353.15 | Heat Ca... |
| η | [0.0004940; 0.0006770] | Pa×s | [288.15; 318.15] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 5.50e-4 6.00e-4 6.50e-4 290 300 310 | ||||
| η | 0.0006770 | Pa×s | 288.15 | Densiti... |
| η | 0.0006473 | Pa×s | 293.15 | Densiti... |
| η | 0.0006070 | Pa×s | 298.15 | Densiti... |
| η | 0.0006096 | Pa×s | 298.15 | Densiti... |
| η | 0.0005750 | Pa×s | 303.15 | Densiti... |
| η | 0.0005811 | Pa×s | 303.15 | Densiti... |
| η | 0.0005460 | Pa×s | 308.15 | Densiti... |
| η | 0.0005500 | Pa×s | 308.15 | Densiti... |
| η | 0.0005190 | Pa×s | 313.15 | Densiti... |
| η | 0.0004940 | Pa×s | 318.15 | Densiti... |
| ΔfusH | [9.23; 9.23] | kJ/mol | [160.40; 160.40] |
|
| ΔfusH | 9.23 | kJ/mol | 160.40 | NIST |
| ΔfusH | 9.23 | kJ/mol | 160.40 | NIST |
| ΔfusH | 9.23 | kJ/mol | 160.40 | NIST |
| ΔvapH | [32.51; 37.50] | kJ/mol | [318.00; 374.80] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 33 34 35 36 37 320 340 360 | ||||
| ΔvapH | 33.50 | kJ/mol | 318.00 | NIST |
| ΔvapH | 35.60 ± 0.10 | kJ/mol | 322.00 | NIST |
| ΔvapH | 34.90 ± 0.10 | kJ/mol | 332.00 | NIST |
| ΔvapH | 37.50 | kJ/mol | 336.50 | NIST |
| ΔvapH | 34.50 ± 0.10 | kJ/mol | 339.00 | NIST |
| ΔvapH | 33.70 ± 0.10 | kJ/mol | 352.00 | NIST |
| ΔvapH | 34.60 | kJ/mol | 355.50 | NIST |
| ΔvapH | 33.00 ± 0.10 | kJ/mol | 366.00 | NIST |
| ΔvapH | 32.60 | kJ/mol | 372.40 | NIST |
| ΔvapH | 32.51 | kJ/mol | 374.70 | NIST |
| ΔvapH | 36.77 | kJ/mol | 374.80 | KDB |
| Pvap | [1.86; 17.09] | kPa | [278.15; 323.15] |
|
|
T(K) Vapor pressure (kPa) 5 10 15 280 300 320 | ||||
| Pvap | 1.86 | kPa | 278.15 | Vapor L... |
| Pvap | 1.86 | kPa | 278.15 | Vapor L... |
| Pvap | 2.48 | kPa | 283.15 | Vapor L... |
| Pvap | 2.48 | kPa | 283.15 | Vapor L... |
| Pvap | 3.27 | kPa | 288.15 | Vapor L... |
| Pvap | 3.27 | kPa | 288.15 | Vapor L... |
| Pvap | 4.26 | kPa | 293.15 | Vapor L... |
| Pvap | 4.26 | kPa | 293.15 | Vapor L... |
| Pvap | 5.51 | kPa | 298.15 | Vapor L... |
| Pvap | 5.51 | kPa | 298.15 | Vapor L... |
| Pvap | 7.04 | kPa | 303.15 | Vapor L... |
| Pvap | 7.04 | kPa | 303.15 | Vapor L... |
| Pvap | 8.90 | kPa | 308.15 | Vapor L... |
| Pvap | 8.90 | kPa | 308.15 | Vapor L... |
| Pvap | 11.15 | kPa | 313.15 | Vapor L... |
| Pvap | 11.15 | kPa | 313.15 | Vapor L... |
| Pvap | 13.87 | kPa | 318.15 | Vapor L... |
| Pvap | 13.87 | kPa | 318.15 | Vapor L... |
| Pvap | 17.09 | kPa | 323.15 | Vapor L... |
| Pvap | 17.09 | kPa | 323.15 | Vapor L... |
| ρl | [1229.50; 1326.50] | kg/m3 | [253.15; 323.15] |
|
|
T(K) Liquid Density (kg/m3) 1220 1240 1260 1280 1300 1320 260 280 300 320 | ||||
| ρl | 1326.50 | kg/m3 | 253.15 | Density... |
| ρl | 1313.80 | kg/m3 | 263.15 | Density... |
| ρl | 1300.50 | kg/m3 | 273.15 | Density... |
| ρl | 1286.40 | kg/m3 | 283.15 | Density... |
| ρl | 1265.70 | kg/m3 | 298.15 | Density... |
| ρl | 1229.50 | kg/m3 | 323.15 | Density... |
| ΔfusS | [57.57; 57.57] | J/mol×K | [160.40; 160.40] |
|
| ΔfusS | 57.57 | J/mol×K | 160.40 | NIST |
| ΔfusS | 57.57 | J/mol×K | 160.40 | NIST |
| csound,fluid | [735.21; 1195.27] | m/s | [243.38; 383.31] |
|
|
T(K) Speed of sound in fluid (m/s) 700 800 900 1000 1100 1200 250 300 350 | ||||
| csound,fluid | 1195.27 | m/s | 243.38 | Speed o... |
| csound,fluid | 1090.98 | m/s | 273.26 | Speed o... |
| csound,fluid | 925.99 | m/s | 323.22 | Speed o... |
| csound,fluid | 861.16 | m/s | 343.22 | Speed o... |
| csound,fluid | 797.60 | m/s | 363.23 | Speed o... |
| csound,fluid | 735.21 | m/s | 383.31 | Speed o... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [274.54; 398.38] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47590e+01 | |||
| Coefficient B | -3.37027e+03 | |||
| Coefficient C | -4.16480e+01 | |||
| Temperature range, min. | 274.54 | |||
| Temperature range, max. | 398.38 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 274.54 | Calculated Property |
| Pvap | 2.99 | kPa | 288.30 | Calculated Property |
| Pvap | 6.15 | kPa | 302.06 | Calculated Property |
| Pvap | 11.78 | kPa | 315.82 | Calculated Property |
| Pvap | 21.20 | kPa | 329.58 | Calculated Property |
| Pvap | 36.15 | kPa | 343.34 | Calculated Property |
| Pvap | 58.85 | kPa | 357.10 | Calculated Property |
| Pvap | 91.98 | kPa | 370.86 | Calculated Property |
| Pvap | 138.70 | kPa | 384.62 | Calculated Property |
| Pvap | 202.63 | kPa | 398.38 | Calculated Property |
| Pvap | [1.49e-06; 4781.82] | kPa | [160.75; 577.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.18191e+02 | |||
| Coefficient B | -8.35117e+03 | |||
| Coefficient C | -1.57561e+01 | |||
| Coefficient D | 1.48094e-05 | |||
| Temperature range, min. | 160.75 | |||
| Temperature range, max. | 577.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 200 300 400 500 | ||||
| Pvap | 1.49e-06 | kPa | 160.75 | Calculated Property |
| Pvap | 3.92e-03 | kPa | 207.00 | Calculated Property |
| Pvap | 0.35 | kPa | 253.25 | Calculated Property |
| Pvap | 6.00 | kPa | 299.50 | Calculated Property |
| Pvap | 40.50 | kPa | 345.75 | Calculated Property |
| Pvap | 160.49 | kPa | 392.00 | Calculated Property |
| Pvap | 463.09 | kPa | 438.25 | Calculated Property |
| Pvap | 1105.67 | kPa | 484.50 | Calculated Property |
| Pvap | 2366.24 | kPa | 530.75 | Calculated Property |
| Pvap | 4781.82 | kPa | 577.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-bromo-.
Mixtures
- Butane, 1-bromo- + 1-Propanol, 2-methyl-
- Butane, 1-bromo- + 1-Octanol
- Butane, 1-bromo- + 1-Decanol
- Butane, 1-bromo- + 1-Butanol
- 2-Propanol, 2-methyl- + Butane, 1-bromo-
- Benzene, nitro- + Butane, 1-bromo-
- Butane, 1-bromo- + Cyclohexane, methyl-
- Benzene, nitro- + Butane, 1-bromo- + Cyclohexane, methyl-
- Carbon dioxide + Butane, 1-bromo-
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Vapor Liquid Equilibrium between (278.15 and 323.15) K and Excess Functions at T = 298.15 K for 1-Bromobutane with 2-Methyl-1-propanol or 2-Butanol
- Vapor Liquid Equilibrium between (278.15 and 323.15) K and Excess Functions at T ) 298.15 K for 1-Bromobutane with 1-Octanol or 1-Decanol
- Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
- Densities and Viscosities of Binary Mixtures of 1-Bromobutane with Butanol Isomers at Several Temperatures
- Densities and Viscosities of Binary and Ternary Mixtures of (Nitrobenzene + 1-Bromobutane), (1-Bromobutane + Methylcyclohexane), (Nitrobenzene + Methylcyclohexane), and (Methylcyclohexane + Nitrobenzene + 1-Bromobutane) from (293.15 to 308.15) K
- Thermodynamics of Ionic Liquid Precursors. 1-Bromobutane and Its Isomers
- Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
- Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
- Phase Behavior, Densities, and Isothermal Compressibility of Carbon Dioxide + 1-Bromobutane, Carbon Dioxide + 1-Chlorobutane, and Carbon Dioxide + 1-Methylimidazole
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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