Chemical Properties of Benzene, bromo- (CAS 108-86-1)

Benzene, bromo-

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InChI
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
InChI Key
QARVLSVVCXYDNA-UHFFFAOYSA-N
Formula
C6H5Br
SMILES
Brc1ccccc1
Molecular Weight1
157.01
CAS
108-86-1
Other Names
  • 1-Bromobenzene
  • Bromobenzene
  • MONOBROMOBENZENE
  • NCI-C55492
  • PHENYL BROMIDE
  • UN 2514
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Physical Properties

Property Value Unit Source
ω 0.2510 KDB
PAff 754.10 kJ/mol NIST
Tig 838.15 K KDB
BasG 725.80 kJ/mol NIST
Δcliquid -3111.90 ± 0.67 kJ/mol NIST
μ 1.50 debye KDB
Tflash,oc 324.26 K KDB
Δf 138.60 kJ/mol KDB
Δfgas 105.10 kJ/mol KDB
Δfliquid [58.60; 60.90] kJ/mol Show Hide
Δfliquid 58.60 kJ/mol NIST
Δfliquid 60.90 ± 4.10 kJ/mol NIST
Δfus 10.62 kJ/mol Joback Calculated Property
Δvap [37.90; 44.80] kJ/mol Show Hide
Δvap 44.54 kJ/mol NIST
Δvap 44.80 kJ/mol NIST
Δvap 44.50 ± 0.10 kJ/mol NIST
Δvap 44.54 ± 0.04 kJ/mol NIST
Δvap 37.90 ± 0.03 kJ/mol NIST
IE [8.95; 9.45] eV Show Hide
IE 9.00 ± 0.03 eV NIST
IE 9.00 eV NIST
IE 9.00 eV NIST
IE 9.02 eV NIST
IE 9.05 ± 0.02 eV NIST
IE 8.98 ± 0.02 eV NIST
IE 8.98 eV NIST
IE Outlier 9.45 eV NIST
IE 8.97 ± 0.02 eV NIST
IE 8.99 eV NIST
IE 9.03 ± 0.01 eV NIST
IE 8.98 ± 0.03 eV NIST
IE 8.95 eV NIST
IE 8.98 ± 0.02 eV NIST
IE 8.99 eV NIST
IE 9.04 eV NIST
IE 9.05 eV NIST
IE 8.99 ± 0.03 eV NIST
IE 9.00 eV NIST
log10WS [-2.55; -2.55]   Show Hide
log10WS -2.55 Aq. Sol...
log10WS -2.55 Estimat...
logPoct/wat 2.449 Crippen Calculated Property
McVol 89.140 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 2 KDB
Pc 4520.00 kPa KDB
Inp [150.00; 983.00]   Show Hide
Inp 960.00 NIST
Inp 952.20 NIST
Inp 931.71 NIST
Inp 941.36 NIST
Inp 924.00 NIST
Inp 932.00 NIST
Inp 914.70 NIST
Inp 923.70 NIST
Inp 934.80 NIST
Inp 959.60 NIST
Inp 961.00 NIST
Inp 974.00 NIST
Inp 974.00 NIST
Inp 964.00 NIST
Inp 964.00 NIST
Inp 945.00 NIST
Inp 925.80 NIST
Inp 965.00 NIST
Inp 982.00 NIST
Inp 979.60 NIST
Inp 941.00 NIST
Inp 903.90 NIST
Inp 926.00 NIST
Inp 909.50 NIST
Inp 919.67 NIST
Inp 921.35 NIST
Inp 926.64 NIST
Inp 927.00 NIST
Inp 927.00 NIST
Inp 918.00 NIST
Inp 915.00 NIST
Inp 930.00 NIST
Inp 921.00 NIST
Inp 935.00 NIST
Inp 982.00 NIST
Inp 936.00 NIST
Inp 895.00 NIST
Inp 983.00 NIST
Inp 910.00 NIST
Inp 936.00 NIST
Inp 945.00 NIST
Inp 930.00 NIST
Inp 945.00 NIST
Inp Outlier 150.00 NIST
I [1330.00; 1391.00]   Show Hide
I 1351.00 NIST
I 1338.00 NIST
I 1330.00 NIST
I 1381.03 NIST
I 1373.68 NIST
I 1358.59 NIST
I 1348.92 NIST
I 1391.00 NIST
I 1338.00 NIST
I 1365.00 NIST
liquid [207.90; 21922.00] J/mol×K Show Hide
liquid 21922.00 J/mol×K NIST
liquid 207.90 J/mol×K NIST
Tboil 429.21 K KDB
Tc 670.00 K KDB
Tfus [242.25; 242.50] K Show Hide
Tfus 242.50 K KDB
Tfus 242.25 K Aq. Sol...
Ttriple [242.40; 242.42] K Show Hide
Ttriple 242.40 K KDB
Ttriple 242.42 ± 0.02 K NIST
Ttriple 242.40 ± 0.01 K NIST
Ttriple 242.40 ± 0.20 K NIST
Vc 0.324 m3/kmol KDB
Zc 0.2628890 KDB
Zra 0.26 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [135.44; 182.34] J/mol×K [429.52; 665.41] Show Hide
Cp,gas 135.44 J/mol×K 429.52 Joback Calculated Property
Cp,gas 144.94 J/mol×K 468.84 Joback Calculated Property
Cp,gas 153.71 J/mol×K 508.15 Joback Calculated Property
Cp,gas 161.79 J/mol×K 547.47 Joback Calculated Property
Cp,gas 169.22 J/mol×K 586.78 Joback Calculated Property
Cp,gas 176.06 J/mol×K 626.10 Joback Calculated Property
Cp,gas 182.34 J/mol×K 665.41 Joback Calculated Property
Cp,liquid [127.60; 167.15] J/mol×K [231.70; 353.15] Show Hide
Cp,liquid 127.60 J/mol×K 231.70 NIST
Cp,liquid 151.63 J/mol×K 283.15 Heat Ca...
Cp,liquid 151.99 J/mol×K 285.15 Heat Ca...
Cp,liquid 152.37 J/mol×K 287.15 Heat Ca...
Cp,liquid 152.75 J/mol×K 289.15 Heat Ca...
Cp,liquid 153.14 J/mol×K 291.15 Heat Ca...
Cp,liquid 153.54 J/mol×K 293.15 Heat Ca...
Cp,liquid 151.50 J/mol×K 293.20 NIST
Cp,liquid 153.94 J/mol×K 295.15 Heat Ca...
Cp,liquid 154.35 J/mol×K 297.15 Heat Ca...
Cp,liquid 151.00 J/mol×K 298.00 NIST
Cp,liquid 155.39 J/mol×K 298.10 NIST
Cp,liquid 154.29 J/mol×K 298.15 NIST
Cp,liquid 154.77 J/mol×K 299.15 Heat Ca...
Cp,liquid 155.19 J/mol×K 301.15 Heat Ca...
Cp,liquid 145.60 J/mol×K 302.60 NIST
Cp,liquid 145.60 J/mol×K 302.60 NIST
Cp,liquid 155.62 J/mol×K 303.15 Heat Ca...
Cp,liquid 155.90 J/mol×K 303.15 NIST
Cp,liquid 156.05 J/mol×K 305.15 Heat Ca...
Cp,liquid 156.49 J/mol×K 307.15 Heat Ca...
Cp,liquid 156.93 J/mol×K 309.15 Heat Ca...
Cp,liquid 157.38 J/mol×K 311.15 Heat Ca...
Cp,liquid 157.83 J/mol×K 313.15 Heat Ca...
Cp,liquid 158.28 J/mol×K 315.15 Heat Ca...
Cp,liquid 158.74 J/mol×K 317.15 Heat Ca...
Cp,liquid 159.20 J/mol×K 319.15 Heat Ca...
Cp,liquid 159.66 J/mol×K 321.15 Heat Ca...
Cp,liquid 160.13 J/mol×K 323.15 Heat Ca...
Cp,liquid 160.60 J/mol×K 325.15 Heat Ca...
Cp,liquid 161.06 J/mol×K 327.15 Heat Ca...
Cp,liquid 161.53 J/mol×K 329.15 Heat Ca...
Cp,liquid 162.00 J/mol×K 331.15 Heat Ca...
Cp,liquid 162.48 J/mol×K 333.15 Heat Ca...
Cp,liquid 162.95 J/mol×K 335.15 Heat Ca...
Cp,liquid 163.42 J/mol×K 337.15 Heat Ca...
Cp,liquid 163.89 J/mol×K 339.15 Heat Ca...
Cp,liquid 164.36 J/mol×K 341.15 Heat Ca...
Cp,liquid 164.83 J/mol×K 343.15 Heat Ca...
Cp,liquid 165.30 J/mol×K 345.15 Heat Ca...
Cp,liquid 165.76 J/mol×K 347.15 Heat Ca...
Cp,liquid 166.23 J/mol×K 349.15 Heat Ca...
Cp,liquid 166.69 J/mol×K 351.15 Heat Ca...
Cp,liquid 167.15 J/mol×K 353.15 Heat Ca...
η [0.0008780; 0.0011640] Pa×s [293.00; 313.15] Show Hide
η 0.0011640 Pa×s 293.00 Thermop...
η 0.0010410 Pa×s 298.15 Thermop...
η 0.0010820 Pa×s 298.15 Thermop...
η 0.0009844 Pa×s 303.00 Thermop...
η 0.0010146 Pa×s 303.15 Thermop...
η 0.0009640 Pa×s 308.15 Thermop...
η 0.0009540 Pa×s 308.15 Thermop...
η 0.0008786 Pa×s 313.00 Thermop...
η 0.0008780 Pa×s 313.15 Thermop...
ΔfusH [10.63; 10.70] kJ/mol [242.40; 242.43] Show Hide
ΔfusH 10.70 kJ/mol 242.40 NIST
ΔfusH 10.70 kJ/mol 242.40 NIST
ΔfusH 10.70 kJ/mol 242.40 NIST
ΔfusH 10.63 kJ/mol 242.43 NIST
ΔvapH [42.30; 44.00] kJ/mol [293.00; 429.10] Show Hide
ΔvapH 44.00 kJ/mol 293.00 NIST
ΔvapH 42.40 kJ/mol 378.00 NIST
ΔvapH 42.30 kJ/mol 398.00 NIST
ΔvapH 42.50 kJ/mol 429.10 KDB
Pvap [0.13; 95.30] kPa [276.40; 426.85] Show Hide
Pvap 0.13 kPa 276.40 Thermoc...
Pvap 0.15 kPa 278.30 Thermoc...
Pvap 0.20 kPa 282.20 Thermoc...
Pvap 0.21 kPa 283.10 Thermoc...
Pvap 0.25 kPa 285.40 Thermoc...
Pvap 0.25 kPa 286.20 Thermoc...
Pvap 0.30 kPa 288.30 Thermoc...
Pvap 0.32 kPa 289.30 Thermoc...
Pvap 0.35 kPa 291.40 Thermoc...
Pvap 0.38 kPa 292.40 Thermoc...
Pvap 0.40 kPa 293.20 Thermoc...
Pvap 0.44 kPa 294.40 Thermoc...
Pvap 0.46 kPa 295.50 Thermoc...
Pvap 0.52 kPa 297.40 Thermoc...
Pvap 0.64 kPa 300.40 Thermoc...
Pvap 0.76 kPa 303.40 Thermoc...
Pvap 95.30 kPa 426.85 Vapor-l...
n0 [1.54970; 1.55770]   [293.15; 313.15] Show Hide
n0 1.55710 293.15 Excess ...
n0 1.55710 298.15 Activit...
n0 1.55710 298.15 (Vapor ...
n0 1.55770 298.15 Density...
n0 1.55610 303.15 Refract...
n0 1.55460 303.15 Excess ...
n0 1.55420 303.15 Density...
n0 1.55140 308.15 Density...
n0 1.55340 308.15 Refract...
n0 1.54970 313.15 Refract...
ρl [1441.22; 1495.52] kg/m3 [293.00; 333.15] Show Hide
ρl 1495.00 kg/m3 293.00 KDB
ρl 1495.52 kg/m3 293.15 Theoret...
ρl 1495.28 kg/m3 293.20 Isobari...
ρl 1495.23 kg/m3 293.20 Isobari...
ρl 1488.12 kg/m3 298.15 Densiti...
ρl 1481.52 kg/m3 303.15 Studies...
ρl 1481.40 kg/m3 303.15 Densiti...
ρl 1481.97 kg/m3 303.15 Theoret...
ρl 1474.58 kg/m3 308.15 Densiti...
ρl 1475.36 kg/m3 308.15 Studies...
ρl 1468.41 kg/m3 313.15 Theoret...
ρl 1468.02 kg/m3 313.15 Studies...
ρl 1461.36 kg/m3 318.15 Studies...
ρl 1454.85 kg/m3 323.15 Theoret...
ρl 1441.22 kg/m3 333.15 Theoret...
ΔfusS [43.84; 44.15] J/mol×K [242.40; 242.43] Show Hide
ΔfusS 44.15 J/mol×K 242.40 NIST
ΔfusS 43.84 J/mol×K 242.43 NIST
γ 0.04 N/m 293.20 KDB

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil 427.85 K 95.30 Excess ...
Tboilr 300.90 K 0.70 NIST
Tfus [259.05; 587.21] K [100000.00; 3500000.00] Show Hide
Tfus 259.05 K 100000.00 Fusion ...
Tfus 276.45 K 200000.00 Fusion ...
Tfus 292.45 K 300000.00 Fusion ...
Tfus 310.05 K 400000.00 Fusion ...
Tfus 322.55 K 500000.00 Fusion ...
Tfus 336.15 K 600000.00 Fusion ...
Tfus 349.25 K 700000.00 Fusion ...
Tfus 361.85 K 800000.00 Fusion ...
Tfus 374.75 K 900000.00 Fusion ...
Tfus 382.85 K 1000000.00 Fusion ...
Tfus 430.05 K 1500000.00 Fusion ...
Tfus 473.67 K 2000000.00 Fusion ...
Tfus 514.22 K 2500000.00 Fusion ...
Tfus 553.94 K 3000000.00 Fusion ...
Tfus 587.21 K 3500000.00 Fusion ...

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
248.15 99.70 1554.489
248.15 1231.41 1555.368
248.15 2075.45 1556.036
248.15 4196.22 1557.697
248.15 5950.98 1559.054
248.15 8068.32 1560.666
248.15 10015.40 1562.113
248.15 11951.60 1563.577
248.15 13994.80 1565.093
248.15 15940.30 1566.527
248.15 18145.00 1568.122
248.15 19946.50 1569.417
248.15 21965.00 1570.861
248.15 24135.90 1572.41
248.15 25864.70 1573.623
248.15 27917.30 1575.05
248.15 29850.30 1576.387
273.15 100.51 1520.557
273.15 1116.26 1521.447
273.15 2128.10 1522.34
273.15 4045.82 1524.026
273.15 5967.30 1525.66
273.15 8142.83 1527.515
273.15 10020.30 1529.109
273.15 11896.10 1530.677
273.15 13922.00 1532.353
273.15 16083.00 1534.134
273.15 18195.20 1535.834
273.15 20035.10 1537.31
273.15 21829.30 1538.747
273.15 23856.50 1540.342
273.15 25976.20 1542.017
273.15 28097.70 1543.651
273.15 29947.00 1545.093
293.15 101.93 1493.557
293.15 1239.69 1494.684
293.15 2010.73 1495.408
293.15 4059.70 1497.371
293.15 6007.85 1499.218
293.15 8079.77 1501.16
293.15 10000.80 1502.944
293.15 11960.00 1504.732
293.15 14168.60 1506.732
293.15 15878.80 1508.265
293.15 17960.30 1510.109
293.15 19999.40 1511.901
293.15 21880.00 1513.531
293.15 24122.20 1515.458
293.15 26141.00 1517.174
293.15 28060.50 1518.79
293.15 29992.70 1520.418
313.15 102.54 1466.553
313.15 2000.76 1468.587
313.15 4010.97 1470.712
313.15 6189.56 1473.0
313.15 7991.64 1474.858
313.15 10089.40 1477.007
313.15 12142.80 1479.063
313.15 14014.60 1480.929
313.15 16087.30 1482.944
313.15 18046.60 1484.852
313.15 20004.20 1486.73
313.15 22154.30 1488.763
313.15 23944.20 1490.446
313.15 26099.80 1492.424
313.15 28042.50 1494.215
313.15 29905.50 1495.902
333.15 100.42 1439.385
333.15 1115.03 1440.596
333.15 1943.37 1441.571
333.15 4094.54 1444.097
333.15 6114.22 1446.439
333.15 7927.80 1448.512
333.15 10021.70 1450.842
333.15 11958.50 1453.001
333.15 13999.00 1455.239
333.15 16048.70 1457.443
333.15 18155.70 1459.682
333.15 20007.80 1461.631
333.15 22157.50 1463.842
333.15 24129.60 1465.857
333.15 26094.50 1467.846
333.15 28018.50 1469.764
333.15 29890.30 1471.607
353.15 99.80 1411.936
353.15 1173.75 1413.368
353.15 1944.34 1414.39
353.15 3949.81 1417.013
353.15 5968.93 1419.612
353.15 7990.46 1422.164
353.15 9916.05 1424.555
353.15 11986.60 1427.088
353.15 14134.60 1429.674
353.15 15921.30 1431.797
353.15 18146.30 1434.386
353.15 19873.50 1436.374
353.15 22180.00 1438.986
353.15 23963.50 1440.977
353.15 26085.20 1443.316
353.15 28122.10 1445.529
353.15 29956.10 1447.501
373.15 98.54 1384.068
373.15 1150.11 1385.641
373.15 2174.39 1387.16
373.15 3917.65 1389.708
373.15 6182.40 1392.956
373.15 8042.69 1395.57
373.15 10003.40 1398.276
373.15 12007.70 1400.991
373.15 14086.40 1403.757
373.15 15912.60 1406.155
373.15 18065.60 1408.912
373.15 19882.10 1411.213
373.15 22174.10 1414.047
373.15 24052.60 1416.329
373.15 25897.20 1418.541
373.15 27711.00 1420.705
373.15 29530.80 1422.851
393.15 97.33 1355.66
393.15 1226.04 1357.559
393.15 2181.20 1359.152
393.15 3965.26 1362.078
393.15 6075.43 1365.466
393.15 8146.91 1368.751
393.15 9937.30 1371.465
393.15 11969.70 1374.529
393.15 14177.00 1377.777
393.15 15955.80 1380.344
393.15 18163.70 1383.473
393.15 20146.90 1386.231
393.15 22175.70 1388.998
393.15 23981.50 1391.424
393.15 26169.90 1394.302
393.15 28005.40 1396.697
393.15 29541.50 1398.685
413.15 99.45 1326.547
413.15 1202.85 1328.655
413.15 2177.13 1330.512
413.15 3915.54 1333.735
413.15 6185.52 1337.833
413.15 8176.14 1341.325
413.15 10032.40 1344.48
413.15 12103.60 1348.01
413.15 13991.80 1351.03
413.15 15890.50 1354.115
413.15 18162.20 1357.681
413.15 19933.00 1360.414
413.15 22150.20 1363.736
413.15 24133.10 1366.656
413.15 26038.90 1369.413
413.15 27898.50 1372.058
413.15 29858.00 1374.805
433.15 1243.75 1299.092
433.15 1973.28 1300.66
433.15 4075.91 1305.09
433.15 6197.75 1309.427
433.15 7981.47 1312.955
433.15 10019.80 1316.907
433.15 12072.60 1320.75
433.15 14033.50 1324.335
433.15 15960.20 1327.765
433.15 17921.10 1331.186
433.15 19992.20 1334.752
433.15 21950.20 1337.95
433.15 24017.90 1341.307
433.15 26143.40 1344.678
433.15 28052.40 1347.64
433.15 29864.50 1350.426
453.15 1135.36 1268.141
453.15 1982.45 1270.245
453.15 4017.67 1275.165
453.15 6189.02 1280.221
453.15 7994.19 1284.28
453.15 10138.80 1288.978
453.15 12157.20 1293.201
453.15 13981.80 1296.937
453.15 16133.80 1301.214
453.15 18121.60 1305.054
453.15 19974.20 1308.564
453.15 22140.80 1312.522
453.15 24115.40 1316.051
453.15 26121.30 1319.557
453.15 28034.20 1322.825
453.15 29912.10 1325.979
473.15 1191.19 1236.278
473.15 2175.44 1239.118
473.15 4131.48 1244.576
473.15 5988.10 1249.543
473.15 8161.41 1255.135
473.15 10165.40 1260.077
473.15 12165.90 1264.845
473.15 14162.70 1269.434
473.15 16124.70 1273.802
473.15 18166.70 1278.202
473.15 20146.20 1282.345
473.15 22123.10 1286.362
473.15 24157.00 1290.388
473.15 26074.70 1294.08
473.15 28019.90 1297.733
473.15 29860.30 1301.116
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [312.67; 458.01] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44191e+01
Coefficient B-3.72354e+03
Coefficient C-4.91780e+01
Temperature range, min.312.67
Temperature range, max.458.01
Pvap 1.33 kPa 312.67 Calculated Property
Pvap 3.02 kPa 328.82 Calculated Property
Pvap 6.24 kPa 344.97 Calculated Property
Pvap 11.97 kPa 361.12 Calculated Property
Pvap 21.54 kPa 377.27 Calculated Property
Pvap 36.68 kPa 393.41 Calculated Property
Pvap 59.56 kPa 409.56 Calculated Property
Pvap 92.77 kPa 425.71 Calculated Property
Pvap 139.33 kPa 441.86 Calculated Property
Pvap 202.63 kPa 458.01 Calculated Property
Pvap [7.67e-03; 4446.48] kPa [242.43; 670.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.92440e+01
Coefficient B-7.92948e+03
Coefficient C-9.41640e+00
Coefficient D5.04459e-06
Temperature range, min.242.43
Temperature range, max.670.15
Pvap 7.67e-03 kPa 242.43 Calculated Property
Pvap 0.34 kPa 289.95 Calculated Property
Pvap 4.50 kPa 337.48 Calculated Property
Pvap 28.15 kPa 385.00 Calculated Property
Pvap 110.01 kPa 432.53 Calculated Property
Pvap 315.03 kPa 480.05 Calculated Property
Pvap 730.18 kPa 527.58 Calculated Property
Pvap 1461.92 kPa 575.10 Calculated Property
Pvap 2642.33 kPa 622.63 Calculated Property
Pvap 4446.48 kPa 670.15 Calculated Property

Similar Compounds

Benzene, 1,3-dibromo-. Benzene, 1,2-dibromo-. Benzene, 1,4-dibromo-. Benzene, 1,2,4-tribromo-. 1,2,3-TRIBROMOBENZENE. Naphthalene, 2-bromo-. Benzene, 1-bromo-4-iodo-. Benzene, 1-bromo-4-chloro-. Benzene, 1-bromo-3-iodo-. p-Bromofluorobenzene. Benzene, 1-bromo-3-chloro-. Benzene, 1,3,5-tribromo-. Benzene, 1-bromo-2-iodo-. Benzene, 1-bromo-3-fluoro-. 1,2,3,4-tetrabromobenzene.

Find more compounds similar to Benzene, bromo-.

Mixtures

Find more mixtures with Benzene, bromo-.

Sources

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