- InChI
- InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
- InChI Key
- YZWKKMVJZFACSU-UHFFFAOYSA-N
- Formula
- C5H11Br
- SMILES
- CCCCCBr
- Molecular Weight1
- 151.04
- CAS
- 110-53-2
- Other Names
-
- 1-BROMOPENTANE
- 1-Pentyl bromide
- Amyl bromide
- N-AMYL BROMIDE
- PENTYLBROMIDE
- Pentyl bromide
- n-C5H11Br
- n-Pentyl 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).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3840 | KDB | |
| ΔcH°liquid | -3369.40 ± 1.40 | kJ/mol | NIST |
| ΔfG° | 5.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.80 ± 1.90 | kJ/mol | NIST |
| ΔfH°liquid | -170.40 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 13.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.16 | kJ/mol | Joback Calculated Property |
| IE | [10.01; 10.10] | eV |
|
| IE | 10.10 ± 0.01 | eV | NIST |
| IE | 10.01 | eV | NIST |
| IE | 10.09 | eV | NIST |
| IE | 10.10 ± 0.02 | eV | NIST |
| log10WS | [-3.08; -3.07] |
|
|
| log10WS | -3.07 | Aq. Sol... | |
| log10WS | -3.08 | Estimat... | |
| logPoct/wat | 2.571 | Crippen Calculated Property | |
| McVol | 98.810 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | 3770.00 | kPa | KDB |
| Inp | [806.50; 859.00] |
|
|
| Inp | 809.70 | NIST | |
| Inp | 810.20 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 810.90 | NIST | |
| Inp | 808.50 | NIST | |
| Inp | 807.70 | NIST | |
| Inp | 806.50 | NIST | |
| Inp | 833.80 | NIST | |
| Inp | 832.70 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 817.70 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | Outlier 859.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 843.60 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 809.70 | NIST | |
| Inp | 807.70 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | Outlier 859.00 | NIST | |
| Inp | 836.00 | NIST | |
| I | [1042.00; 1091.00] |
|
|
| I | 1068.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1044.00 | NIST | |
| I | Outlier 1091.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1042.00 | NIST | |
| I | 1042.00 | NIST | |
| S°liquid | 406.77 | J/mol×K | NIST |
| Tboil | [391.10; 403.00] | K |
|
| Tboil | 402.70 | K | KDB |
| Tboil | 403.00 | K | NIST |
| Tboil | 402.80 | K | NIST |
| Tboil | 402.90 | K | NIST |
| Tboil | 402.00 ± 0.40 | K | NIST |
| Tboil | 402.70 ± 0.40 | K | NIST |
| Tboil | 402.73 ± 0.15 | K | NIST |
| Tboil | 391.40 ± 0.50 | K | NIST |
| Tboil | 391.10 ± 0.60 | K | NIST |
| Tboil | 391.80 ± 1.50 | K | NIST |
| Tc | 564.80 | K | KDB |
| Tfus | [178.48; 185.20] | K |
|
| Tfus | 185.00 | K | KDB |
| Tfus | 180.48 | K | Aq. Sol... |
| Tfus | 185.20 ± 0.20 | K | NIST |
| Tfus | 184.80 ± 5.00 | K | NIST |
| Tfus | 178.48 ± 0.20 | K | NIST |
| Tfus | 185.10 ± 0.20 | K | NIST |
| Vc | 0.378 | m3/kmol | KDB |
| Zc | 0.3030590 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.36; 211.43] | J/mol×K | [379.96; 564.76] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 160 170 180 190 200 210 400 450 500 550 | ||||
| Cp,gas | 161.36 | J/mol×K | 379.96 | Joback Calculated Property |
| Cp,gas | 170.69 | J/mol×K | 410.76 | Joback Calculated Property |
| Cp,gas | 179.61 | J/mol×K | 441.56 | Joback Calculated Property |
| Cp,gas | 188.13 | J/mol×K | 472.36 | Joback Calculated Property |
| Cp,gas | 196.26 | J/mol×K | 503.16 | Joback Calculated Property |
| Cp,gas | 204.02 | J/mol×K | 533.96 | Joback Calculated Property |
| Cp,gas | 211.43 | J/mol×K | 564.76 | Joback Calculated Property |
| Cp,liquid | [171.59; 219.70] | J/mol×K | [206.60; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 170 180 190 200 210 220 250 300 350 | ||||
| Cp,liquid | 174.90 | J/mol×K | 206.60 | NIST |
| Cp,liquid | 187.88 | J/mol×K | 284.15 | Heat Ca... |
| Cp,liquid | 188.46 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 189.17 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 171.59 | J/mol×K | 290.70 | NIST |
| Cp,liquid | 189.85 | J/mol×K | 291.65 | Heat Ca... |
| Cp,liquid | 190.33 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 190.94 | J/mol×K | 296.65 | Heat Ca... |
| Cp,liquid | 219.70 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 191.57 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 192.17 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 193.01 | J/mol×K | 304.15 | Heat Ca... |
| Cp,liquid | 193.53 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 194.17 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 194.86 | J/mol×K | 311.65 | Heat Ca... |
| Cp,liquid | 195.60 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 196.21 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 196.98 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 197.61 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 198.35 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 199.09 | J/mol×K | 326.65 | Heat Ca... |
| Cp,liquid | 199.80 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 200.47 | J/mol×K | 331.65 | Heat Ca... |
| Cp,liquid | 201.48 | J/mol×K | 334.15 | Heat Ca... |
| Cp,liquid | 201.57 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 202.76 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 203.58 | J/mol×K | 341.65 | Heat Ca... |
| Cp,liquid | 204.33 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 205.07 | J/mol×K | 346.65 | Heat Ca... |
| Cp,liquid | 205.89 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 206.69 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 207.05 | J/mol×K | 353.15 | Heat Ca... |
| η | [0.0003591; 0.0038476] | Pa×s | [205.91; 379.96] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 4.00e-3 250 300 350 | ||||
| η | 0.0038476 | Pa×s | 205.91 | Joback Calculated Property |
| η | 0.0020303 | Pa×s | 234.92 | Joback Calculated Property |
| η | 0.0012330 | Pa×s | 263.93 | Joback Calculated Property |
| η | 0.0008265 | Pa×s | 292.94 | Joback Calculated Property |
| η | 0.0005954 | Pa×s | 321.94 | Joback Calculated Property |
| η | 0.0004529 | Pa×s | 350.95 | Joback Calculated Property |
| η | 0.0003591 | Pa×s | 379.96 | Joback Calculated Property |
| ΔfusH | [11.46; 14.37] | kJ/mol | [185.10; 185.10] |
|
| ΔfusH | 11.46 | kJ/mol | 185.10 | NIST |
| ΔfusH | 14.37 | kJ/mol | 185.10 | NIST |
| ΔfusH | 14.37 | kJ/mol | 185.10 | NIST |
| ΔfusH | 14.36 | kJ/mol | 185.10 | NIST |
| ΔvapH | [34.48; 41.00] | kJ/mol | [368.00; 402.90] |
|
| ΔvapH | 41.00 | kJ/mol | 368.00 | NIST |
| ΔvapH | 34.48 | kJ/mol | 402.70 | KDB |
| ΔvapH | 35.01 | kJ/mol | 402.90 | NIST |
| ρl | [1083.40; 1260.30] | kg/m3 | [253.15; 393.15] |
|
|
T(K) Liquid Density (kg/m3) 1100 1150 1200 1250 250 300 350 | ||||
| ρl | 1260.30 | kg/m3 | 253.15 | Density... |
| ρl | 1249.90 | kg/m3 | 263.15 | Density... |
| ρl | 1239.60 | kg/m3 | 273.15 | Density... |
| ρl | 1214.90 | kg/m3 | 293.15 | Density... |
| ρl | 1208.50 | kg/m3 | 298.15 | Density... |
| ρl | 1177.10 | kg/m3 | 323.15 | Density... |
| ρl | 1151.00 | kg/m3 | 343.15 | Density... |
| ρl | 1124.70 | kg/m3 | 363.15 | Density... |
| ρl | 1097.40 | kg/m3 | 383.15 | Density... |
| ρl | 1083.40 | kg/m3 | 393.15 | Density... |
| ΔfusS | [62.00; 77.61] | J/mol×K | [185.10; 185.10] |
|
| ΔfusS | 62.00 | J/mol×K | 185.10 | NIST |
| ΔfusS | 77.61 | J/mol×K | 185.10 | NIST |
| ΔfusS | 77.60 | J/mol×K | 185.10 | NIST |
| csound,fluid | [666.58; 1240.04] | m/s | [243.73; 423.48] |
|
|
T(K) Speed of sound in fluid (m/s) 700 800 900 1000 1100 1200 250 300 350 400 | ||||
| csound,fluid | 1240.04 | m/s | 243.73 | Speed o... |
| csound,fluid | 1137.50 | m/s | 273.32 | Speed o... |
| csound,fluid | 1037.13 | m/s | 303.22 | Speed o... |
| csound,fluid | 972.37 | m/s | 323.17 | Speed o... |
| csound,fluid | 877.57 | m/s | 353.18 | Speed o... |
| csound,fluid | 785.49 | m/s | 383.23 | Speed o... |
| csound,fluid | 725.54 | m/s | 403.28 | Speed o... |
| csound,fluid | 666.58 | m/s | 423.48 | Speed o... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 294.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [300.87; 421.19] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.74893e+01 | |||
| Coefficient B | -5.01695e+03 | |||
| Coefficient C | -9.21200e+00 | |||
| Temperature range, min. | 300.87 | |||
| Temperature range, max. | 421.19 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 300.87 | Calculated Property |
| Pvap | 2.83 | kPa | 314.24 | Calculated Property |
| Pvap | 5.65 | kPa | 327.61 | Calculated Property |
| Pvap | 10.67 | kPa | 340.98 | Calculated Property |
| Pvap | 19.16 | kPa | 354.35 | Calculated Property |
| Pvap | 32.95 | kPa | 367.71 | Calculated Property |
| Pvap | 54.50 | kPa | 381.08 | Calculated Property |
| Pvap | 87.04 | kPa | 394.45 | Calculated Property |
| Pvap | 134.72 | kPa | 407.82 | Calculated Property |
| Pvap | 202.67 | kPa | 421.19 | Calculated Property |
| Pvap | [1.31; 3920.12] | kPa | [294.15; 564.76] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.04728e+02 | |||
| Coefficient B | -1.21476e+04 | |||
| Coefficient C | -2.91790e+01 | |||
| Coefficient D | 3.11793e-05 | |||
| Temperature range, min. | 294.15 | |||
| Temperature range, max. | 564.76 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 300 400 500 | ||||
| Pvap | 1.31 | kPa | 294.15 | Calculated Property |
| Pvap | 6.31 | kPa | 324.22 | Calculated Property |
| Pvap | 21.55 | kPa | 354.29 | Calculated Property |
| Pvap | 58.46 | kPa | 384.35 | Calculated Property |
| Pvap | 135.98 | kPa | 414.42 | Calculated Property |
| Pvap | 286.23 | kPa | 444.49 | Calculated Property |
| Pvap | 566.82 | kPa | 474.56 | Calculated Property |
| Pvap | 1086.48 | kPa | 504.62 | Calculated Property |
| Pvap | 2058.97 | kPa | 534.69 | Calculated Property |
| Pvap | 3920.12 | kPa | 564.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1-bromo-.
Sources
- 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
- 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
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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