- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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 | |||
| 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 | |||
| 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.