Chemical Properties of Heptane, 1-bromo- (CAS 629-04-9)

Heptane, 1-bromo-

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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
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Physical Properties

Property Value Unit Source
Δcliquid -4679.90 ± 1.60 kJ/mol NIST
Δf 22.38 kJ/mol Joback Calculated Property
Δfgas -170.20 ± 2.20 kJ/mol NIST
Δfliquid -218.60 ± 1.60 kJ/mol NIST
Δfus 19.17 kJ/mol Joback Calculated Property
Δvap [50.20; 50.80] kJ/mol Show Hide
Δvap 50.61 kJ/mol NIST
Δvap 50.20 kJ/mol NIST
Δvap 50.80 ± 0.10 kJ/mol NIST
Δvap 50.79 ± 0.10 kJ/mol NIST
Δvap 50.40 ± 0.20 kJ/mol NIST
Δvap 50.40 ± 0.20 kJ/mol NIST
IE 9.81 eV NIST
log10WS [-4.43; -4.43]   Show Hide
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]   Show Hide
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]   Show Hide
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 Show Hide
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 Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52868e+01
Coefficient B-4.12208e+03
Coefficient C-6.68200e+01
Temperature range, min.341.64
Temperature range, max.480.05
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... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.18101e+01
Coefficient B-8.70223e+03
Coefficient C-9.62699e+00
Coefficient D4.55484e-06
Temperature range, min.217.05
Temperature range, max.651.00
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

Pentatriacontane, 1-bromo-. Undecane, 1-bromo-. Tetradecane, 1-bromo-. Dodecane, 1-bromo-. 1-Bromoeicosane. Tetratriacontane, 1-bromo-. Nonane, 1-bromo-. Triacontane, 1-bromo-. Decane, 1-bromo-. Octane, 1-bromo-. Pentadecane, 1-bromo-. 1-Bromodocosane. Tetracosane, 1-bromo-. Heptadecane, 1-bromo-. Tridecane, 1-bromo-.

Find more compounds similar to Heptane, 1-bromo-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.