Chemical Properties of Hexane, 1-bromo- (CAS 111-25-1)

Hexane, 1-bromo-

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InChI
InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChI Key
MNDIARAMWBIKFW-UHFFFAOYSA-N
Formula
C6H13Br
SMILES
CCCCCCBr
Molecular Weight1
165.07
CAS
111-25-1
Other Names
  • 1-Bromohexane
  • 1-Hexyl bromide
  • 1-hexylbromide
  • Bromohexane
  • Hexyl bromide
  • N-HEXYL BROMIDE
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Physical Properties

Property Value Unit Source
Δcliquid -4024.60 ± 1.60 kJ/mol NIST
Δf 13.96 kJ/mol Joback Calculated Property
Δfgas -150.10 ± 2.10 kJ/mol NIST
Δfliquid -194.50 ± 1.60 kJ/mol NIST
Δfus 16.58 kJ/mol Joback Calculated Property
Δvap 35.39 kJ/mol Joback Calculated Property
IE [9.91; 10.06] eV Show Hide
IE 9.91 eV NIST
IE 10.06 ± 0.05 eV NIST
log10WS [-3.81; -3.81]   Show Hide
log10WS -3.81 Aq. Sol...
log10WS -3.81 Estimat...
logPoct/wat 2.962 Crippen Calculated Property
McVol 112.900 ml/mol McGowan Calculated Property
Pc 3360.64 kPa Joback Calculated Property
Inp [918.00; 982.00]   Show Hide
Inp 920.60 NIST
Inp 921.40 NIST
Inp 935.00 NIST
Inp Outlier 982.00 NIST
Inp 918.30 NIST
Inp 918.00 NIST
Inp 942.00 NIST
Inp 960.00 NIST
Inp 948.00 NIST
Inp 951.00 NIST
Inp 964.00 NIST
Inp 940.00 NIST
Inp 927.00 NIST
Inp 938.00 NIST
Inp 926.00 NIST
Inp 923.00 NIST
Inp 923.00 NIST
I [1147.00; 1187.00]   Show Hide
I 1167.00 NIST
I 1159.00 NIST
I 1147.00 NIST
I Outlier 1187.00 NIST
I 1160.00 NIST
I 1156.00 NIST
I 1163.00 NIST
I 1163.00 NIST
liquid 452.92 J/mol×K NIST
Tboil [427.75; 430.00] K Show Hide
Tboil 427.75 K KDB
Tboil 428.50 K Vapor-l...
Tboil 429.00 ± 2.00 K NIST
Tboil 428.50 K NIST
Tboil 428.00 K NIST
Tboil 430.00 ± 0.25 K NIST
Tc 586.57 K Joback Calculated Property
Tfus [188.10; 188.45] K Show Hide
Tfus 188.25 K Aq. Sol...
Tfus 188.45 ± 0.60 K NIST
Tfus 188.10 ± 0.20 K NIST
Vc 0.433 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [197.64; 254.97] J/mol×K [402.84; 586.57] Show Hide
Cp,gas 197.64 J/mol×K 402.84 Joback Calculated Property
Cp,gas 208.32 J/mol×K 433.46 Joback Calculated Property
Cp,gas 218.53 J/mol×K 464.08 Joback Calculated Property
Cp,gas 228.28 J/mol×K 494.70 Joback Calculated Property
Cp,gas 237.59 J/mol×K 525.33 Joback Calculated Property
Cp,gas 246.48 J/mol×K 555.95 Joback Calculated Property
Cp,gas 254.97 J/mol×K 586.57 Joback Calculated Property
Cp,liquid [203.55; 260.17] J/mol×K [284.15; 423.15] Show Hide
Cp,liquid 215.54 J/mol×K 284.15 Heat Ca...
Cp,liquid 216.29 J/mol×K 286.65 Heat Ca...
Cp,liquid 217.08 J/mol×K 289.15 Heat Ca...
Cp,liquid 217.78 J/mol×K 291.65 Heat Ca...
Cp,liquid 218.54 J/mol×K 294.15 Heat Ca...
Cp,liquid 219.26 J/mol×K 296.65 Heat Ca...
Cp,liquid 219.70 J/mol×K 298.15 NIST
Cp,liquid 219.66 J/mol×K 298.15 Isobari...
Cp,liquid 203.55 J/mol×K 298.80 NIST
Cp,liquid 219.99 J/mol×K 299.15 Heat Ca...
Cp,liquid 220.68 J/mol×K 301.65 Heat Ca...
Cp,liquid 221.28 J/mol×K 303.15 Isobari...
Cp,liquid 221.38 J/mol×K 304.15 Heat Ca...
Cp,liquid 222.22 J/mol×K 306.65 Heat Ca...
Cp,liquid 222.90 J/mol×K 308.15 Isobari...
Cp,liquid 222.98 J/mol×K 309.15 Heat Ca...
Cp,liquid 223.79 J/mol×K 311.65 Heat Ca...
Cp,liquid 224.51 J/mol×K 313.15 Isobari...
Cp,liquid 224.63 J/mol×K 314.15 Heat Ca...
Cp,liquid 225.37 J/mol×K 316.65 Heat Ca...
Cp,liquid 226.13 J/mol×K 318.15 Isobari...
Cp,liquid 226.20 J/mol×K 319.15 Heat Ca...
Cp,liquid 227.01 J/mol×K 321.65 Heat Ca...
Cp,liquid 227.77 J/mol×K 323.15 Isobari...
Cp,liquid 227.86 J/mol×K 324.15 Heat Ca...
Cp,liquid 228.67 J/mol×K 326.65 Heat Ca...
Cp,liquid 229.38 J/mol×K 328.15 Isobari...
Cp,liquid 229.55 J/mol×K 329.15 Heat Ca...
Cp,liquid 230.39 J/mol×K 331.65 Heat Ca...
Cp,liquid 231.00 J/mol×K 333.15 Isobari...
Cp,liquid 231.21 J/mol×K 334.15 Heat Ca...
Cp,liquid 231.59 J/mol×K 336.65 Heat Ca...
Cp,liquid 232.62 J/mol×K 338.15 Isobari...
Cp,liquid 233.25 J/mol×K 339.15 Heat Ca...
Cp,liquid 233.77 J/mol×K 341.65 Heat Ca...
Cp,liquid 234.24 J/mol×K 343.15 Isobari...
Cp,liquid 234.73 J/mol×K 344.15 Heat Ca...
Cp,liquid 235.64 J/mol×K 346.65 Heat Ca...
Cp,liquid 235.87 J/mol×K 348.15 Isobari...
Cp,liquid 236.55 J/mol×K 349.15 Heat Ca...
Cp,liquid 237.39 J/mol×K 351.65 Heat Ca...
Cp,liquid 237.49 J/mol×K 353.15 Isobari...
Cp,liquid 237.85 J/mol×K 353.15 Heat Ca...
Cp,liquid 239.11 J/mol×K 358.15 Isobari...
Cp,liquid 240.72 J/mol×K 363.15 Isobari...
Cp,liquid 242.34 J/mol×K 368.15 Isobari...
Cp,liquid 243.96 J/mol×K 373.15 Isobari...
Cp,liquid 245.59 J/mol×K 378.15 Isobari...
Cp,liquid 247.21 J/mol×K 383.15 Isobari...
Cp,liquid 248.83 J/mol×K 388.15 Isobari...
Cp,liquid 250.45 J/mol×K 393.15 Isobari...
Cp,liquid 252.06 J/mol×K 398.15 Isobari...
Cp,liquid 253.68 J/mol×K 403.15 Isobari...
Cp,liquid 255.32 J/mol×K 408.15 Isobari...
Cp,liquid 256.93 J/mol×K 413.15 Isobari...
Cp,liquid 258.55 J/mol×K 418.15 Isobari...
Cp,liquid 260.17 J/mol×K 423.15 Isobari...
η [0.0003465; 0.0040640] Pa×s [217.18; 402.84] Show Hide
η 0.0040640 Pa×s 217.18 Joback Calculated Property
η 0.0020875 Pa×s 248.12 Joback Calculated Property
η 0.0012430 Pa×s 279.07 Joback Calculated Property
η 0.0008208 Pa×s 310.01 Joback Calculated Property
η 0.0005844 Pa×s 340.95 Joback Calculated Property
η 0.0004403 Pa×s 371.90 Joback Calculated Property
η 0.0003465 Pa×s 402.84 Joback Calculated Property
ΔfusH [18.05; 18.05] kJ/mol [188.10; 188.10] Show Hide
ΔfusH 18.05 kJ/mol 188.10 NIST
ΔfusH 18.05 kJ/mol 188.10 NIST
ΔfusH 18.05 kJ/mol 188.10 NIST
ΔvapH 43.20 kJ/mol 394.50 NIST
Pvap 101.33 kPa 428.50 Vapor-l...
n0 1.44640 298.15 Densiti...
ρl [1040.90; 1218.00] kg/m3 [253.15; 403.15] Show Hide
ρl 1218.00 kg/m3 253.15 Density...
ρl 1195.30 kg/m3 273.15 Density...
ρl 1183.80 kg/m3 283.15 Density...
ρl 1166.80 kg/m3 298.15 Density...
ρl 1137.30 kg/m3 323.15 Density...
ρl 1113.70 kg/m3 343.15 Density...
ρl 1090.80 kg/m3 363.15 Density...
ρl 1066.10 kg/m3 383.15 Density...
ρl 1040.90 kg/m3 403.15 Density...
ΔfusS [95.98; 95.98] J/mol×K [188.10; 188.10] Show Hide
ΔfusS 95.98 J/mol×K 188.10 NIST
ΔfusS 95.98 J/mol×K 188.10 NIST
csound,fluid [709.98; 1273.76] m/s [243.60; 423.23] Show Hide
csound,fluid 1273.76 m/s 243.60 Speed o...
csound,fluid 1172.85 m/s 273.31 Speed o...
csound,fluid 1073.63 m/s 303.20 Speed o...
csound,fluid 1009.29 m/s 323.20 Speed o...
csound,fluid 916.03 m/s 353.16 Speed o...
csound,fluid 826.35 m/s 383.19 Speed o...
csound,fluid 767.47 m/s 403.25 Speed o...
csound,fluid 709.98 m/s 423.23 Speed o...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [322.76; 454.54] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53188e+01
Coefficient B-3.94571e+03
Coefficient C-6.02590e+01
Temperature range, min.322.76
Temperature range, max.454.54
Pvap 1.33 kPa 322.76 Calculated Property
Pvap 2.95 kPa 337.40 Calculated Property
Pvap 6.03 kPa 352.04 Calculated Property
Pvap 11.50 kPa 366.69 Calculated Property
Pvap 20.69 kPa 381.33 Calculated Property
Pvap 35.36 kPa 395.97 Calculated Property
Pvap 57.79 kPa 410.61 Calculated Property
Pvap 90.79 kPa 425.26 Calculated Property
Pvap 137.76 kPa 439.90 Calculated Property
Pvap 202.65 kPa 454.54 Calculated Property
Pvap [3.54; 198.01] kPa [333.15; 456.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.28810e+01
Coefficient B-8.58497e+03
Coefficient C-1.14706e+01
Coefficient D7.01862e-06
Temperature range, min.333.15
Temperature range, max.456.15
Pvap 3.54 kPa 333.15 Calculated Property
Pvap 6.57 kPa 346.82 Calculated Property
Pvap 11.53 kPa 360.48 Calculated Property
Pvap 19.27 kPa 374.15 Calculated Property
Pvap 30.84 kPa 387.82 Calculated Property
Pvap 47.51 kPa 401.48 Calculated Property
Pvap 70.75 kPa 415.15 Calculated Property
Pvap 102.28 kPa 428.82 Calculated Property
Pvap 143.99 kPa 442.48 Calculated Property
Pvap 198.01 kPa 456.15 Calculated Property

Similar Compounds

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

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

Mixtures

Sources

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