- InChI
- InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
- InChI Key
- CYNYIHKIEHGYOZ-UHFFFAOYSA-N
- Formula
- C3H7Br
- SMILES
- CCCBr
- Molecular Weight1
- 122.99
- CAS
- 106-94-5
- Other Names
-
- 1-Bromopropane
- PROPYL BROMIDE
- UN 2344
- n-C3H7Br
- n-Propyl bromide
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2940 | KDB | |
| ΔcH°liquid | -2056.60 ± 1.40 | kJ/mol | NIST |
| ΔfG° | -11.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-92.00; -82.93] | kJ/mol |
|
| ΔfH°gas | -82.93 | kJ/mol | NIST |
| ΔfH°gas | -92.00 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | -124.40 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 8.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [31.90; 32.13] | kJ/mol |
|
| ΔvapH° | 32.13 | kJ/mol | NIST |
| ΔvapH° | 31.90 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 31.90 ± 0.08 | kJ/mol | NIST |
| IE | [10.18; 10.49] | eV |
|
| IE | 10.18 ± 0.01 | eV | NIST |
| IE | 10.21 | eV | NIST |
| IE | 10.18 | eV | NIST |
| IE | 10.20 | eV | NIST |
| IE | 10.18 | eV | NIST |
| IE | 10.18 ± 0.01 | eV | NIST |
| IE | Outlier 10.49 ± 0.01 | eV | NIST |
| IE | 10.18 ± 0.01 | eV | NIST |
| log10WS | [-1.73; -1.73] |
|
|
| log10WS | -1.73 | Aq. Sol... | |
| log10WS | -1.73 | Estimat... | |
| logPoct/wat | 1.791 | Crippen Calculated Property | |
| McVol | 70.630 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | [4798.00; 4840.00] | kPa |
|
| Pc | 4840.00 | kPa | KDB |
| Pc | 4798.00 ± 20.00 | kPa | NIST |
| Inp | [591.00; 649.00] |
|
|
| Inp | 627.70 | NIST | |
| Inp | 627.10 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 614.20 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | Outlier 591.00 | NIST | |
| Inp | 597.00 | NIST | |
| Inp | 601.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 610.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 618.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 636.20 | NIST | |
| Inp | 624.20 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 632.00 | NIST | |
| Tboil | 344.20 | K | KDB |
| Tc | [535.50; 544.50] | K |
|
| Tc | 535.50 | K | KDB |
| Tc | 536.94 ± 0.10 | K | NIST |
| Tc | 544.50 | K | NIST |
| Tfus | [162.70; 163.20] | K |
|
| Tfus | 163.00 | K | KDB |
| Tfus | 162.70 ± 0.20 | K | NIST |
| Tfus | 163.00 ± 2.00 | K | NIST |
| Tfus | 163.15 ± 0.40 | K | NIST |
| Tfus | 163.20 ± 1.00 | K | NIST |
| Vc | 0.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.29; 129.64] | J/mol×K | [334.20; 520.02] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 95 100 105 110 115 120 125 130 350 400 450 500 | ||||
| Cp,gas | 96.29 | J/mol×K | 334.20 | Joback Calculated Property |
| Cp,gas | 102.51 | J/mol×K | 365.17 | Joback Calculated Property |
| Cp,gas | 108.46 | J/mol×K | 396.14 | Joback Calculated Property |
| Cp,gas | 114.14 | J/mol×K | 427.11 | Joback Calculated Property |
| Cp,gas | 119.55 | J/mol×K | 458.08 | Joback Calculated Property |
| Cp,gas | 124.72 | J/mol×K | 489.05 | Joback Calculated Property |
| Cp,gas | 129.64 | J/mol×K | 520.02 | Joback Calculated Property |
| Cp,liquid | [129.02; 140.20] | J/mol×K | [269.15; 326.65] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 128 130 132 134 136 138 140 280 300 320 | ||||
| Cp,liquid | 129.02 | J/mol×K | 269.15 | Heat Ca... |
| Cp,liquid | 129.44 | J/mol×K | 271.65 | Heat Ca... |
| Cp,liquid | 129.78 | J/mol×K | 274.15 | Heat Ca... |
| Cp,liquid | 130.10 | J/mol×K | 276.65 | Heat Ca... |
| Cp,liquid | 130.48 | J/mol×K | 279.15 | Heat Ca... |
| Cp,liquid | 130.86 | J/mol×K | 281.65 | Heat Ca... |
| Cp,liquid | 131.20 | J/mol×K | 284.15 | Heat Ca... |
| Cp,liquid | 131.64 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 132.01 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 132.46 | J/mol×K | 291.65 | Heat Ca... |
| Cp,liquid | 132.78 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 133.20 | J/mol×K | 296.65 | Heat Ca... |
| Cp,liquid | 140.20 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 130.50 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 134.60 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 133.64 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 134.00 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 134.55 | J/mol×K | 304.15 | Heat Ca... |
| Cp,liquid | 134.93 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 135.35 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 135.80 | J/mol×K | 311.65 | Heat Ca... |
| Cp,liquid | 136.23 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 136.68 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 137.16 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 137.60 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 138.11 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 138.55 | J/mol×K | 326.65 | Heat Ca... |
| η | [0.0003639; 0.0031562] | Pa×s | [183.37; 334.20] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 200 250 300 | ||||
| η | 0.0031562 | Pa×s | 183.37 | Joback Calculated Property |
| η | 0.0017724 | Pa×s | 208.51 | Joback Calculated Property |
| η | 0.0011268 | Pa×s | 233.65 | Joback Calculated Property |
| η | 0.0007823 | Pa×s | 258.78 | Joback Calculated Property |
| η | 0.0005794 | Pa×s | 283.92 | Joback Calculated Property |
| η | 0.0004506 | Pa×s | 309.06 | Joback Calculated Property |
| η | 0.0003639 | Pa×s | 334.20 | Joback Calculated Property |
| ΔvapH | [29.30; 35.50] | kJ/mol | [282.00; 352.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 29 30 31 32 33 34 35 36 300 320 340 | ||||
| ΔvapH | 35.50 | kJ/mol | 282.00 | NIST |
| ΔvapH | 32.60 | kJ/mol | 288.00 | NIST |
| ΔvapH | 34.10 | kJ/mol | 309.00 | NIST |
| ΔvapH | 31.10 ± 0.10 | kJ/mol | 322.00 | NIST |
| ΔvapH | 31.80 | kJ/mol | 322.50 | NIST |
| ΔvapH | 30.50 ± 0.10 | kJ/mol | 332.00 | NIST |
| ΔvapH | 30.10 ± 0.10 | kJ/mol | 339.00 | NIST |
| ΔvapH | 29.90 | kJ/mol | 341.80 | NIST |
| ΔvapH | 29.84 | kJ/mol | 344.20 | NIST |
| ΔvapH | 33.60 | kJ/mol | 344.20 | KDB |
| ΔvapH | 29.30 ± 0.10 | kJ/mol | 352.00 | NIST |
| ρl | [1344.50; 1431.10] | kg/m3 | [243.15; 298.15] |
|
|
T(K) Liquid Density (kg/m3) 1340 1360 1380 1400 1420 260 280 | ||||
| ρl | 1431.10 | kg/m3 | 243.15 | Density... |
| ρl | 1415.40 | kg/m3 | 253.15 | Density... |
| ρl | 1400.30 | kg/m3 | 263.15 | Density... |
| ρl | 1385.30 | kg/m3 | 273.15 | Density... |
| ρl | 1369.40 | kg/m3 | 283.15 | Density... |
| ρl | 1344.50 | kg/m3 | 298.15 | Density... |
| csound,fluid | [674.94; 1144.84] | m/s | [243.76; 383.47] |
|
|
T(K) Speed of sound in fluid (m/s) 700 800 900 1000 1100 250 300 350 | ||||
| csound,fluid | 1144.84 | m/s | 243.76 | Speed o... |
| csound,fluid | 1075.02 | m/s | 263.38 | Speed o... |
| csound,fluid | 1040.10 | m/s | 273.31 | Speed o... |
| csound,fluid | 1005.51 | m/s | 283.26 | Speed o... |
| csound,fluid | 971.22 | m/s | 293.22 | Speed o... |
| csound,fluid | 954.05 | m/s | 298.21 | Speed o... |
| csound,fluid | 870.16 | m/s | 323.21 | Speed o... |
| csound,fluid | 804.19 | m/s | 343.21 | Speed o... |
| csound,fluid | 739.38 | m/s | 363.23 | Speed o... |
| csound,fluid | 674.94 | m/s | 383.47 | Speed o... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 204.59] | kPa | [250.44; 367.04] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48914e+01 | |||
| Coefficient B | -3.23755e+03 | |||
| Coefficient C | -2.87500e+01 | |||
| Temperature range, min. | 250.44 | |||
| Temperature range, max. | 367.04 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300 350 | ||||
| Pvap | 1.33 | kPa | 250.44 | Calculated Property |
| Pvap | 2.99 | kPa | 263.40 | Calculated Property |
| Pvap | 6.15 | kPa | 276.35 | Calculated Property |
| Pvap | 11.77 | kPa | 289.31 | Calculated Property |
| Pvap | 21.21 | kPa | 302.26 | Calculated Property |
| Pvap | 36.22 | kPa | 315.22 | Calculated Property |
| Pvap | 59.07 | kPa | 328.17 | Calculated Property |
| Pvap | 92.50 | kPa | 341.13 | Calculated Property |
| Pvap | 139.76 | kPa | 354.08 | Calculated Property |
| Pvap | 204.59 | kPa | 367.04 | Calculated Property |
| Pvap | [9.86e-05; 5078.44] | kPa | [163.15; 544.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.52251e+01 | |||
| Coefficient B | -6.17233e+03 | |||
| Coefficient C | -9.19579e+00 | |||
| Coefficient D | 8.71010e-06 | |||
| Temperature range, min. | 163.15 | |||
| Temperature range, max. | 544.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 200 300 400 500 | ||||
| Pvap | 9.86e-05 | kPa | 163.15 | Calculated Property |
| Pvap | 0.03 | kPa | 205.47 | Calculated Property |
| Pvap | 1.17 | kPa | 247.78 | Calculated Property |
| Pvap | 12.67 | kPa | 290.10 | Calculated Property |
| Pvap | 68.39 | kPa | 332.42 | Calculated Property |
| Pvap | 240.03 | kPa | 374.73 | Calculated Property |
| Pvap | 639.07 | kPa | 417.05 | Calculated Property |
| Pvap | 1419.00 | kPa | 459.37 | Calculated Property |
| Pvap | 2793.27 | kPa | 501.68 | Calculated Property |
| Pvap | 5078.44 | kPa | 544.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-bromo-.
Mixtures
- Propane, 1-bromo- + Tetradecanoic acid
- Propane, 1-bromo- + n-Hexadecanoic acid
- Octadecanoic acid + Propane, 1-bromo-
- Propane, 1-bromo- + Dodecanoic acid, 1,2,3-propanetriyl ester
- Trimyristin + Propane, 1-bromo-
- Propane, 1-bromo- + Tripalmitin
- Propane, 1-bromo- + Tristearin
- Dodecanoic acid + Propane, 1-bromo-
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- 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
- Solubilities of Fatty Acids and Triglycerides in 1-Bromopropane
- Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
- Solubilities of Lauric Acid in n-Hexane, Acetone, Propanol, 2-Propanol, 1-Bromopropane, and Trichloroethylene from (279.0 to 315.3) K
- Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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