- InChI
- InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- InChI Key
- VMKOFRJSULQZRM-UHFFFAOYSA-N
- Formula
- C8H17Br
- SMILES
- CCCCCCCCBr
- Molecular Weight1
- 193.12
- CAS
- 111-83-1
- Other Names
-
- 1-Bromooctane
- 1-Octylbromide
- N-OCTYL BROMIDE
- Octyl bromide
- 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.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -5332.60 ± 2.30 | kJ/mol | NIST |
| ΔfG° | 30.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -190.10 ± 2.30 | kJ/mol | NIST |
| ΔfH°liquid | -245.20 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 21.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [55.10; 55.80] | kJ/mol |
|
| ΔvapH° | 55.77 | kJ/mol | NIST |
| ΔvapH° | 55.10 | kJ/mol | NIST |
| ΔvapH° | 55.77 ± 0.25 | kJ/mol | NIST |
| ΔvapH° | 55.80 ± 0.10 | kJ/mol | NIST |
| IE | [9.54; 9.71] | eV |
|
| IE | 9.71 | eV | NIST |
| IE | 9.54 ± 0.05 | eV | NIST |
| log10WS | [-5.06; -5.06] |
|
|
| log10WS | -5.06 | Aq. Sol... | |
| log10WS | -5.06 | Estimat... | |
| logPoct/wat | 3.742 | Crippen Calculated Property | |
| McVol | 141.080 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | [1118.00; 1142.00] |
|
|
| Inp | 1118.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1138.00 | NIST | |
| I | [1351.00; 1385.00] |
|
|
| I | 1365.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1373.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1385.00 | NIST | |
| Tboil | [471.00; 474.65] | K |
|
| Tboil | 474.65 | K | KDB |
| Tboil | 474.00 | K | NIST |
| Tboil | 474.00 | K | NIST |
| Tboil | 474.00 | K | NIST |
| Tboil | 474.00 ± 6.00 | K | NIST |
| Tboil | Outlier 471.00 ± 5.00 | K | NIST |
| Tc | 629.52 | K | Joback Calculated Property |
| Tfus | [218.15; 218.20] | K |
|
| Tfus | 218.15 | K | KDB |
| Tfus | 218.20 ± 0.20 | K | NIST |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.10; 346.83] | J/mol×K | [448.60; 629.52] |
|
| Cp,gas | 277.10 | J/mol×K | 448.60 | Joback Calculated Property |
| Cp,gas | 290.08 | J/mol×K | 478.75 | Joback Calculated Property |
| Cp,gas | 302.49 | J/mol×K | 508.91 | Joback Calculated Property |
| Cp,gas | 314.35 | J/mol×K | 539.06 | Joback Calculated Property |
| Cp,gas | 325.68 | J/mol×K | 569.21 | Joback Calculated Property |
| Cp,gas | 336.50 | J/mol×K | 599.37 | Joback Calculated Property |
| Cp,gas | 346.83 | J/mol×K | 629.52 | Joback Calculated Property |
| Cp,liquid | [272.15; 335.96] | J/mol×K | [298.15; 423.15] |
|
| Cp,liquid | 272.15 | J/mol×K | 298.15 | Isobari... |
| Cp,liquid | 274.70 | J/mol×K | 303.15 | Isobari... |
| Cp,liquid | 277.25 | J/mol×K | 308.15 | Isobari... |
| Cp,liquid | 279.80 | J/mol×K | 313.15 | Isobari... |
| Cp,liquid | 282.35 | J/mol×K | 318.15 | Isobari... |
| Cp,liquid | 284.92 | J/mol×K | 323.15 | Isobari... |
| Cp,liquid | 287.47 | J/mol×K | 328.15 | Isobari... |
| Cp,liquid | 290.02 | J/mol×K | 333.15 | Isobari... |
| Cp,liquid | 292.56 | J/mol×K | 338.15 | Isobari... |
| Cp,liquid | 295.11 | J/mol×K | 343.15 | Isobari... |
| Cp,liquid | 297.66 | J/mol×K | 348.15 | Isobari... |
| Cp,liquid | 300.23 | J/mol×K | 353.15 | Isobari... |
| Cp,liquid | 302.78 | J/mol×K | 358.15 | Isobari... |
| Cp,liquid | 305.33 | J/mol×K | 363.15 | Isobari... |
| Cp,liquid | 307.88 | J/mol×K | 368.15 | Isobari... |
| Cp,liquid | 310.43 | J/mol×K | 373.15 | Isobari... |
| Cp,liquid | 313.00 | J/mol×K | 378.15 | Isobari... |
| Cp,liquid | 315.55 | J/mol×K | 383.15 | Isobari... |
| Cp,liquid | 318.10 | J/mol×K | 388.15 | Isobari... |
| Cp,liquid | 320.64 | J/mol×K | 393.15 | Isobari... |
| Cp,liquid | 323.19 | J/mol×K | 398.15 | Isobari... |
| Cp,liquid | 325.76 | J/mol×K | 403.15 | Isobari... |
| Cp,liquid | 328.31 | J/mol×K | 408.15 | Isobari... |
| Cp,liquid | 330.86 | J/mol×K | 413.15 | Isobari... |
| Cp,liquid | 333.41 | J/mol×K | 418.15 | Isobari... |
| Cp,liquid | 335.96 | J/mol×K | 423.15 | Isobari... |
| η | [0.0003089; 0.0042394] | Pa×s | [239.72; 448.60] |
|
| η | 0.0042394 | Pa×s | 239.72 | Joback Calculated Property |
| η | 0.0020773 | Pa×s | 274.53 | Joback Calculated Property |
| η | 0.0011952 | Pa×s | 309.35 | Joback Calculated Property |
| η | 0.0007690 | Pa×s | 344.16 | Joback Calculated Property |
| η | 0.0005366 | Pa×s | 378.97 | Joback Calculated Property |
| η | 0.0003977 | Pa×s | 413.79 | Joback Calculated Property |
| η | 0.0003089 | Pa×s | 448.60 | Joback Calculated Property |
| ΔfusH | [24.69; 24.69] | kJ/mol | [218.20; 218.20] |
|
| ΔfusH | 24.69 | kJ/mol | 218.20 | NIST |
| ΔfusH | 24.69 | kJ/mol | 218.20 | NIST |
| ΔvapH | 49.30 | kJ/mol | 424.00 | NIST |
| ρl | [1008.40; 1151.10] | kg/m3 | [253.15; 393.15] |
|
| ρl | 1151.10 | kg/m3 | 253.15 | Density... |
| ρl | 1140.90 | kg/m3 | 263.15 | Density... |
| ρl | 1131.20 | kg/m3 | 273.15 | Density... |
| ρl | 1121.20 | kg/m3 | 283.15 | Density... |
| ρl | 1111.00 | kg/m3 | 293.15 | Density... |
| ρl | 1106.00 | kg/m3 | 298.15 | Density... |
| ρl | 1080.60 | kg/m3 | 323.15 | Density... |
| ρl | 1060.50 | kg/m3 | 343.15 | Density... |
| ρl | 1039.50 | kg/m3 | 363.15 | Density... |
| ρl | 1008.40 | kg/m3 | 393.15 | Density... |
| csound,fluid | [778.72; 1336.33] | m/s | [243.61; 423.04] |
|
| csound,fluid | 1336.33 | m/s | 243.61 | Speed o... |
| csound,fluid | 1235.42 | m/s | 273.28 | Speed o... |
| csound,fluid | 1137.20 | m/s | 303.16 | Speed o... |
| csound,fluid | 1073.82 | m/s | 323.02 | Speed o... |
| csound,fluid | 981.92 | m/s | 352.91 | Speed o... |
| csound,fluid | 892.87 | m/s | 382.88 | Speed o... |
| csound,fluid | 835.51 | m/s | 402.55 | Speed o... |
| csound,fluid | 778.72 | m/s | 423.04 | Speed o... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [359.16; 501.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54132e+01 | |||
| Coefficient B | -4.32973e+03 | |||
| Coefficient C | -7.29080e+01 | |||
| Temperature range, min. | 359.16 | |||
| Temperature range, max. | 501.52 | |||
| Pvap | 1.33 | kPa | 359.16 | Calculated Property |
| Pvap | 2.94 | kPa | 374.98 | Calculated Property |
| Pvap | 6.01 | kPa | 390.80 | Calculated Property |
| Pvap | 11.46 | kPa | 406.61 | Calculated Property |
| Pvap | 20.61 | kPa | 422.43 | Calculated Property |
| Pvap | 35.23 | kPa | 438.25 | Calculated Property |
| Pvap | 57.62 | kPa | 454.07 | Calculated Property |
| Pvap | 90.60 | kPa | 469.88 | Calculated Property |
| Pvap | 137.60 | kPa | 485.70 | Calculated Property |
| Pvap | 202.64 | kPa | 501.52 | Calculated Property |
| Pvap | [3.85; 104.33] | kPa | [373.15; 475.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.05240e+02 | |||
| Coefficient B | -1.01903e+04 | |||
| Coefficient C | -1.30951e+01 | |||
| Coefficient D | 6.94001e-06 | |||
| Temperature range, min. | 373.15 | |||
| Temperature range, max. | 475.15 | |||
| Pvap | 3.85 | kPa | 373.15 | Calculated Property |
| Pvap | 6.18 | kPa | 384.48 | Calculated Property |
| Pvap | 9.60 | kPa | 395.82 | Calculated Property |
| Pvap | 14.47 | kPa | 407.15 | Calculated Property |
| Pvap | 21.22 | kPa | 418.48 | Calculated Property |
| Pvap | 30.38 | kPa | 429.82 | Calculated Property |
| Pvap | 42.55 | kPa | 441.15 | Calculated Property |
| Pvap | 58.40 | kPa | 452.48 | Calculated Property |
| Pvap | 78.71 | kPa | 463.82 | Calculated Property |
| Pvap | 104.33 | kPa | 475.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1-bromo-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
- Effect of bromine substitution on the solubility of gases in hydrocarbons and fluorocarbons
- 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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