- InChI
- InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
- InChI Key
- LSXKDWGTSHCFPP-UHFFFAOYSA-N
- Formula
- C7H15Br
- SMILES
- CCCCCCCBr
- Molecular Weight1
- 179.10
- CAS
- 629-04-9
- Other Names
-
- 1-Bromoheptane
- Heptyl bromide
- N-HEPTYL 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 | -4679.90 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.20 ± 2.20 | kJ/mol | NIST |
| ΔfH°liquid | -218.60 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 19.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [50.20; 50.80] | kJ/mol |
|
| ΔvapH° | 50.61 | kJ/mol | NIST |
| ΔvapH° | 50.20 | kJ/mol | NIST |
| ΔvapH° | 50.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 50.79 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 50.40 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 50.40 ± 0.20 | kJ/mol | NIST |
| IE | 9.81 | eV | NIST |
| log10WS | [-4.43; -4.43] |
|
|
| log10WS | -4.43 | Aq. Sol... | |
| log10WS | -4.43 | Estimat... | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 126.990 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | [1018.00; 1067.00] |
|
|
| Inp | 1036.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | Outlier 1067.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1036.00 | NIST | |
| I | [1252.00; 1282.00] |
|
|
| I | 1268.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1252.00 | NIST | |
| I | Outlier 1282.00 | NIST | |
| I | 1266.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1256.00 | NIST | |
| I | 1256.00 | NIST | |
| Tboil | [451.70; 453.20] | K |
|
| Tboil | 453.15 | K | KDB |
| Tboil | 453.20 | K | NIST |
| Tboil | 453.00 | K | NIST |
| Tboil | 451.70 | K | NIST |
| Tc | 608.13 | K | Joback Calculated Property |
| Tfus | [214.40; 217.10] | K |
|
| Tfus | 215.82 | K | Aq. Sol... |
| Tfus | 214.90 ± 0.40 | K | NIST |
| Tfus | 217.10 ± 0.25 | K | NIST |
| Tfus | 214.40 ± 0.30 | K | NIST |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.26; 300.13] | J/mol×K | [425.72; 608.13] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 230 240 250 260 270 280 290 300 450 500 550 600 | ||||
| Cp,gas | 236.26 | J/mol×K | 425.72 | Joback Calculated Property |
| Cp,gas | 248.15 | J/mol×K | 456.12 | Joback Calculated Property |
| Cp,gas | 259.52 | J/mol×K | 486.52 | Joback Calculated Property |
| Cp,gas | 270.39 | J/mol×K | 516.93 | Joback Calculated Property |
| Cp,gas | 280.77 | J/mol×K | 547.33 | Joback Calculated Property |
| Cp,gas | 290.67 | J/mol×K | 577.73 | Joback Calculated Property |
| Cp,gas | 300.13 | J/mol×K | 608.13 | Joback Calculated Property |
| Cp,liquid | [244.73; 295.35] | J/mol×K | [284.15; 423.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 240 250 260 270 280 290 300 300 350 400 | ||||
| Cp,liquid | 244.73 | J/mol×K | 284.15 | Heat Ca... |
| Cp,liquid | 245.56 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 246.44 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 247.28 | J/mol×K | 291.65 | Heat Ca... |
| Cp,liquid | 248.12 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 248.93 | J/mol×K | 296.65 | Heat Ca... |
| Cp,liquid | 247.90 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 249.39 | J/mol×K | 298.15 | Isobari... |
| Cp,liquid | 249.70 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 250.38 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 251.24 | J/mol×K | 303.15 | Isobari... |
| Cp,liquid | 251.56 | J/mol×K | 304.15 | Heat Ca... |
| Cp,liquid | 252.33 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 253.07 | J/mol×K | 308.15 | Isobari... |
| Cp,liquid | 253.19 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 254.14 | J/mol×K | 311.65 | Heat Ca... |
| Cp,liquid | 254.91 | J/mol×K | 313.15 | Isobari... |
| Cp,liquid | 255.00 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 255.97 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 256.75 | J/mol×K | 318.15 | Isobari... |
| Cp,liquid | 256.84 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 257.85 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 258.58 | J/mol×K | 323.15 | Isobari... |
| Cp,liquid | 258.76 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 259.71 | J/mol×K | 326.65 | Heat Ca... |
| Cp,liquid | 260.43 | J/mol×K | 328.15 | Isobari... |
| Cp,liquid | 260.68 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 261.61 | J/mol×K | 331.65 | Heat Ca... |
| Cp,liquid | 262.27 | J/mol×K | 333.15 | Isobari... |
| Cp,liquid | 262.50 | J/mol×K | 334.15 | Heat Ca... |
| Cp,liquid | 262.97 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 264.10 | J/mol×K | 338.15 | Isobari... |
| Cp,liquid | 264.64 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 265.49 | J/mol×K | 341.65 | Heat Ca... |
| Cp,liquid | 265.94 | J/mol×K | 343.15 | Isobari... |
| Cp,liquid | 266.52 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 267.46 | J/mol×K | 346.65 | Heat Ca... |
| Cp,liquid | 267.77 | J/mol×K | 348.15 | Isobari... |
| Cp,liquid | 268.47 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 269.51 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 270.03 | J/mol×K | 353.15 | Heat Ca... |
| Cp,liquid | 269.61 | J/mol×K | 353.15 | Isobari... |
| Cp,liquid | 271.46 | J/mol×K | 358.15 | Isobari... |
| Cp,liquid | 273.29 | J/mol×K | 363.15 | Isobari... |
| Cp,liquid | 275.13 | J/mol×K | 368.15 | Isobari... |
| Cp,liquid | 276.98 | J/mol×K | 373.15 | Isobari... |
| Cp,liquid | 278.80 | J/mol×K | 378.15 | Isobari... |
| Cp,liquid | 280.65 | J/mol×K | 383.15 | Isobari... |
| Cp,liquid | 282.47 | J/mol×K | 388.15 | Isobari... |
| Cp,liquid | 284.32 | J/mol×K | 393.15 | Isobari... |
| Cp,liquid | 286.16 | J/mol×K | 398.15 | Isobari... |
| Cp,liquid | 287.99 | J/mol×K | 403.15 | Isobari... |
| Cp,liquid | 289.83 | J/mol×K | 408.15 | Isobari... |
| Cp,liquid | 291.68 | J/mol×K | 413.15 | Isobari... |
| Cp,liquid | 293.51 | J/mol×K | 418.15 | Isobari... |
| Cp,liquid | 295.35 | J/mol×K | 423.15 | Isobari... |
| η | [0.0003293; 0.0041928] | Pa×s | [228.45; 425.72] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 250 300 350 400 | ||||
| η | 0.0041928 | Pa×s | 228.45 | Joback Calculated Property |
| η | 0.0021013 | Pa×s | 261.33 | Joback Calculated Property |
| η | 0.0012290 | Pa×s | 294.21 | Joback Calculated Property |
| η | 0.0008006 | Pa×s | 327.09 | Joback Calculated Property |
| η | 0.0005640 | Pa×s | 359.96 | Joback Calculated Property |
| η | 0.0004213 | Pa×s | 392.84 | Joback Calculated Property |
| η | 0.0003293 | Pa×s | 425.72 | Joback Calculated Property |
| ΔfusH | [21.76; 21.76] | kJ/mol | [214.40; 214.40] |
|
| ΔfusH | 21.76 | kJ/mol | 214.40 | NIST |
| ΔfusH | 21.76 | kJ/mol | 214.40 | NIST |
| ΔvapH | [47.00; 47.50] | kJ/mol | [408.00; 411.00] |
|
| ΔvapH | 47.50 | kJ/mol | 408.00 | NIST |
| ΔvapH | 47.00 | kJ/mol | 411.00 | NIST |
| ρl | [1026.60; 1191.00] | kg/m3 | [243.15; 393.15] |
|
|
T(K) Liquid Density (kg/m3) 1050 1100 1150 1200 250 300 350 | ||||
| ρl | 1191.00 | kg/m3 | 243.15 | Density... |
| ρl | 1169.60 | kg/m3 | 263.15 | Density... |
| ρl | 1159.20 | kg/m3 | 273.15 | Density... |
| ρl | 1148.70 | kg/m3 | 283.15 | Density... |
| ρl | 1132.90 | kg/m3 | 298.15 | Density... |
| ρl | 1106.00 | kg/m3 | 323.15 | Density... |
| ρl | 1084.50 | kg/m3 | 343.15 | Density... |
| ρl | 1026.60 | kg/m3 | 393.15 | Density... |
| csound,fluid | [748.09; 1308.35] | m/s | [243.74; 423.22] |
|
|
T(K) Speed of sound in fluid (m/s) 700 800 900 1000 1100 1200 1300 250 300 350 400 | ||||
| csound,fluid | 1308.35 | m/s | 243.74 | Speed o... |
| csound,fluid | 1207.17 | m/s | 273.33 | Speed o... |
| csound,fluid | 1108.66 | m/s | 303.19 | Speed o... |
| csound,fluid | 1045.07 | m/s | 323.14 | Speed o... |
| csound,fluid | 952.86 | m/s | 353.14 | Speed o... |
| csound,fluid | 863.47 | m/s | 383.17 | Speed o... |
| csound,fluid | 748.09 | m/s | 423.22 | Speed o... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [341.64; 480.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52868e+01 | |||
| Coefficient B | -4.12208e+03 | |||
| Coefficient C | -6.68200e+01 | |||
| Temperature range, min. | 341.64 | |||
| Temperature range, max. | 480.05 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 341.64 | Calculated Property |
| Pvap | 2.95 | kPa | 357.02 | Calculated Property |
| Pvap | 6.03 | kPa | 372.40 | Calculated Property |
| Pvap | 11.52 | kPa | 387.78 | Calculated Property |
| Pvap | 20.72 | kPa | 403.16 | Calculated Property |
| Pvap | 35.40 | kPa | 418.53 | Calculated Property |
| Pvap | 57.85 | kPa | 433.91 | Calculated Property |
| Pvap | 90.86 | kPa | 449.29 | Calculated Property |
| Pvap | 137.82 | kPa | 464.67 | Calculated Property |
| Pvap | 202.66 | kPa | 480.05 | Calculated Property |
| Pvap | [5.21e-05; 2994.16] | kPa | [217.05; 651.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.18101e+01 | |||
| Coefficient B | -8.70223e+03 | |||
| Coefficient C | -9.62699e+00 | |||
| Coefficient D | 4.55484e-06 | |||
| Temperature range, min. | 217.05 | |||
| Temperature range, max. | 651.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 300 400 500 600 | ||||
| Pvap | 5.21e-05 | kPa | 217.05 | Calculated Property |
| Pvap | 0.01 | kPa | 265.27 | Calculated Property |
| Pvap | 0.43 | kPa | 313.48 | Calculated Property |
| Pvap | 5.13 | kPa | 361.70 | Calculated Property |
| Pvap | 30.90 | kPa | 409.92 | Calculated Property |
| Pvap | 119.70 | kPa | 458.13 | Calculated Property |
| Pvap | 344.56 | kPa | 506.35 | Calculated Property |
| Pvap | 807.42 | kPa | 554.57 | Calculated Property |
| Pvap | 1636.99 | kPa | 602.78 | Calculated Property |
| Pvap | 2994.16 | kPa | 651.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1-bromo-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
- 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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