Chemical Properties of Benzene, (1-methylethyl)- (CAS 98-82-8)

Benzene, (1-methylethyl)-

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InChI
InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key
RWGFKTVRMDUZSP-UHFFFAOYSA-N
Formula
C9H12
SMILES
CC(C)c1ccccc1
Molecular Weight1
120.19
CAS
98-82-8
Other Names
  • (1-METHYLETHYL)BENZENE
  • (1-methylethyl)benzene (cumene)
  • (Methylethyl)benzene
  • 1-methylethylbenzene
  • 2-Fenilpropano
  • 2-Fenyl-propaan
  • 2-PHENYLPROPANE
  • Benzene, i-propyl-
  • Benzene, isopropyl-
  • Cumeen
  • Cumene
  • Cumol
  • ISOPROPYLBENZENE
  • Isopropilbenzene
  • Isopropylbenzeen
  • Isopropylbenzol
  • NSC 8776
  • Propane, 2-phenyl-
  • Rcra waste number U055
  • UN 1918
  • i-Propylbenzene
  • iso-propylbenzene
  • iso-propylbenzene (cumene)
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Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Datasets
  4. Correlations
  5. Similar Compounds
  6. Mixtures
  7. Sources

Physical Properties

Property Value Unit Source
ω 0.3260 KDB
PAff 791.60 kJ/mol NIST
Tig 698.15 K KDB
BasG 763.90 kJ/mol NIST
Δcliquid [-5218.60; -5215.44] kJ/mol Show Hide
Δcliquid -5215.44 ± 0.96 kJ/mol NIST
Δcliquid -5218.60 kJ/mol NIST
Cp,liquid 214.75 J/mol×K Thermod...
η [0.0007390; 0.0007390] Pa×s Show Hide
η 0.0007390 Pa×s Viscosi...
η 0.0007390 Pa×s Viscosi...
LFL 0.90 % in Air KDB
UFL 6.50 % in Air KDB
Tflash,oc 317.04 K KDB
Δf 137.10 kJ/mol KDB
Δc,grossH 5215.44 kJ/mol KDB
Δc,netH 4951.346 kJ/mol KDB
Δfgas [3.90; 3.94] kJ/mol Show Hide
Δfgas 3.94 kJ/mol KDB
Δfgas 3.90 ± 1.10 kJ/mol NIST
Δfliquid -41.20 ± 1.10 kJ/mol NIST
Δfus 9.58 kJ/mol Joback Calculated Property
Δvap [37.00; 45.15] kJ/mol Show Hide
Δvap 45.15 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
Δvap 45.10 ± 0.10 kJ/mol NIST
Δvap 44.00 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
Δvap Outlier 37.00 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
Δvap 45.14 kJ/mol NIST
Δvap 45.10 kJ/mol NIST
IE [8.69; 8.98] eV Show Hide
IE 8.73 ± 0.02 eV NIST
IE 8.72 eV NIST
IE 8.72 ± 0.01 eV NIST
IE 8.69 ± 0.01 eV NIST
IE 8.76 eV NIST
IE 8.71 eV NIST
IE 8.75 eV NIST
IE Outlier 8.98 eV NIST
log10WS [-3.27; -3.27]   Show Hide
log10WS -3.27 Aq. Sol...
log10WS -3.27 Estimat...
logPoct/wat 2.810 Crippen Calculated Property
McVol 113.910 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
Pc [2786.44; 3210.00] kPa Show Hide
Pc 3209.00 kPa KDB
Pc 3210.00 ± 40.00 kPa NIST
Pc 3209.00 ± 6.00 kPa NIST
Pc 2786.44 ± 151.99 kPa NIST
Pc 3160.00 ± 5.88 kPa NIST
ρc 278.84 ± 0.96 kg/m3 NIST
Inp [134.00; 961.00]   Show Hide
Inp 909.10 NIST
Inp 909.82 NIST
Inp 930.00 NIST
Inp 930.00 NIST
Inp 935.10 NIST
Inp 942.50 NIST
Inp 908.00 NIST
Inp 909.00 NIST
Inp 909.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 919.50 NIST
Inp 919.20 NIST
Inp 920.10 NIST
Inp 920.70 NIST
Inp 919.00 NIST
Inp 920.00 NIST
Inp 892.90 NIST
Inp 898.20 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 919.00 NIST
Inp 920.00 NIST
Inp 919.00 NIST
Inp 922.00 NIST
Inp 916.00 NIST
Inp 907.00 NIST
Inp 905.00 NIST
Inp 909.30 NIST
Inp 909.80 NIST
Inp 911.30 NIST
Inp 921.00 NIST
Inp 929.00 NIST
Inp 915.00 NIST
Inp 920.00 NIST
Inp 926.00 NIST
Inp 932.00 NIST
Inp 904.10 NIST
Inp 906.70 NIST
Inp 920.40 NIST
Inp 925.60 NIST
Inp 931.80 NIST
Inp 915.50 NIST
Inp 900.30 NIST
Inp 907.00 NIST
Inp 903.40 NIST
Inp 903.90 NIST
Inp 904.10 NIST
Inp 904.10 NIST
Inp 906.70 NIST
Inp 908.00 NIST
Inp 939.00 NIST
Inp 939.00 NIST
Inp 939.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 901.00 NIST
Inp 922.00 NIST
Inp 927.00 NIST
Inp 930.00 NIST
Inp 932.00 NIST
Inp 929.00 NIST
Inp 932.00 NIST
Inp 935.00 NIST
Inp 937.00 NIST
Inp 940.00 NIST
Inp 910.10 NIST
Inp 910.10 NIST
Inp 910.10 NIST
Inp 910.10 NIST
Inp 910.10 NIST
Inp 910.10 NIST
Inp 908.00 NIST
Inp 905.00 NIST
Inp 908.00 NIST
Inp 911.00 NIST
Inp 913.00 NIST
Inp 916.00 NIST
Inp 915.00 NIST
Inp 903.10 NIST
Inp 910.80 NIST
Inp 903.50 NIST
Inp 932.00 NIST
Inp 940.00 NIST
Inp 947.00 NIST
Inp 924.00 NIST
Inp 909.00 NIST
Inp 915.00 NIST
Inp 932.00 NIST
Inp 925.10 NIST
Inp 917.00 NIST
Inp 909.00 NIST
Inp 927.00 NIST
Inp 911.00 NIST
Inp 912.20 NIST
Inp 912.00 NIST
Inp 910.00 NIST
Inp 927.00 NIST
Inp 914.30 NIST
Inp 919.40 NIST
Inp 922.20 NIST
Inp 923.60 NIST
Inp 906.90 NIST
Inp 930.30 NIST
Inp 929.00 NIST
Inp 926.00 NIST
Inp 910.80 NIST
Inp 928.70 NIST
Inp 907.20 NIST
Inp 907.90 NIST
Inp 919.40 NIST
Inp 922.20 NIST
Inp 923.60 NIST
Inp 913.00 NIST
Inp 909.43 NIST
Inp 909.62 NIST
Inp 910.00 NIST
Inp 934.30 NIST
Inp 929.20 NIST
Inp 931.60 NIST
Inp 946.50 NIST
Inp 941.60 NIST
Inp 944.90 NIST
Inp 920.00 NIST
Inp 914.90 NIST
Inp 909.07 NIST
Inp 910.70 NIST
Inp 906.00 NIST
Inp 905.10 NIST
Inp 911.30 NIST
Inp 909.00 NIST
Inp 925.00 NIST
Inp 936.10 NIST
Inp 910.00 NIST
Inp 923.00 NIST
Inp 932.00 NIST
Inp 918.00 NIST
Inp 919.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 925.00 NIST
Inp 926.00 NIST
Inp 903.00 NIST
Inp 917.00 NIST
Inp 903.00 NIST
Inp 910.00 NIST
Inp 950.00 NIST
Inp 925.00 NIST
Inp 916.00 NIST
Inp 922.00 NIST
Inp 912.00 NIST
Inp 923.00 NIST
Inp 926.00 NIST
Inp 915.00 NIST
Inp 929.00 NIST
Inp 932.00 NIST
Inp 915.00 NIST
Inp 923.00 NIST
Inp 956.00 NIST
Inp 954.00 NIST
Inp 925.00 NIST
Inp 927.00 NIST
Inp 926.00 NIST
Inp 919.00 NIST
Inp 956.00 NIST
Inp 912.00 NIST
Inp 908.00 NIST
Inp 930.70 NIST
Inp 926.00 NIST
Inp 916.00 NIST
Inp 906.00 NIST
Inp 938.00 NIST
Inp 961.00 NIST
Inp 910.00 NIST
Inp 915.00 NIST
Inp 916.00 NIST
Inp 914.00 NIST
Inp 924.00 NIST
Inp 927.00 NIST
Inp 931.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 919.00 NIST
Inp 920.00 NIST
Inp 922.00 NIST
Inp 922.00 NIST
Inp 923.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 909.00 NIST
Inp 914.00 NIST
Inp 925.00 NIST
Inp 914.00 NIST
Inp 923.00 NIST
Inp 911.00 NIST
Inp 920.00 NIST
Inp 919.00 NIST
Inp 914.00 NIST
Inp 908.00 NIST
Inp 919.00 NIST
Inp 908.00 NIST
Inp 912.00 NIST
Inp 925.00 NIST
Inp 905.00 NIST
Inp 907.50 NIST
Inp 933.00 NIST
Inp 906.00 NIST
Inp 913.00 NIST
Inp 915.00 NIST
Inp 921.00 NIST
Inp 905.00 NIST
Inp 919.00 NIST
Inp 929.00 NIST
Inp 904.00 NIST
Inp 929.00 NIST
Inp Outlier 134.00 NIST
I [1150.00; 1236.00]   Show Hide
I 1158.00 NIST
I 1176.90 NIST
I 1202.10 NIST
I 1203.60 NIST
I 1169.80 NIST
I 1154.90 NIST
I Outlier 1232.00 NIST
I Outlier 1236.00 NIST
I 1198.00 NIST
I 1205.00 NIST
I 1213.00 NIST
I 1191.00 NIST
I 1161.00 NIST
I 1182.00 NIST
I 1192.30 NIST
I 1177.00 NIST
I 1181.00 NIST
I 1166.00 NIST
I 1186.00 NIST
I 1189.00 NIST
I 1200.00 NIST
I 1211.00 NIST
I Outlier 1225.00 NIST
I 1169.00 NIST
I 1179.00 NIST
I 1155.00 NIST
I 1168.00 NIST
I 1185.00 NIST
I 1168.00 NIST
I 1172.00 NIST
I 1150.00 NIST
I 1171.00 NIST
I 1183.00 NIST
I 1155.00 NIST
I 1182.00 NIST
I 1177.00 NIST
I 1182.00 NIST
I 1164.00 NIST
I 1161.00 NIST
I 1162.00 NIST
I 1186.00 NIST
I 1169.00 NIST
gas 386.53 J/mol×K NIST
liquid 277.57 J/mol×K NIST
Tboil [425.44; 425.63] K Show Hide
Tboil 425.56 K KDB
Tboil 425.55 K Isobari...
Tboil 425.55 K Isobari...
Tboil 425.44 K Isobari...
Tboil 425.63 K Experim...
Tboil 425.44 K Vapor-L...
Tc [624.55; 635.90] K Show Hide
Tc 631.00 K KDB
Tc 631.00 ± 0.50 K NIST
Tc 631.10 ± 0.15 K NIST
Tc 624.55 ± 2.00 K NIST
Tc 635.90 ± 4.00 K NIST
Tfus 177.14 K KDB
Ttriple 177.13 ± 0.01 K NIST
Vc 0.435 m3/kmol KDB
Zc 0.2658850 KDB
Zra 0.26 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [214.82; 289.96] J/mol×K [431.56; 643.71] Show Hide
Cp,gas 214.82 J/mol×K 431.56 Joback Calculated Property
Cp,gas 229.30 J/mol×K 466.92 Joback Calculated Property
Cp,gas 242.96 J/mol×K 502.28 Joback Calculated Property
Cp,gas 255.82 J/mol×K 537.64 Joback Calculated Property
Cp,gas 267.92 J/mol×K 573.00 Joback Calculated Property
Cp,gas 279.29 J/mol×K 608.35 Joback Calculated Property
Cp,gas 289.96 J/mol×K 643.71 Joback Calculated Property
Cp,liquid [198.70; 215.40] J/mol×K [295.96; 302.00] Show Hide
Cp,liquid 214.40 J/mol×K 295.96 NIST
Cp,liquid 213.00 J/mol×K 298.00 NIST
Cp,liquid 215.40 J/mol×K 298.15 NIST
Cp,liquid 209.41 J/mol×K 299.80 NIST
Cp,liquid 198.70 J/mol×K 302.00 NIST
Cp,liquid 198.70 J/mol×K 302.00 NIST
η [0.0006110; 0.0006900] Pa×s [303.15; 313.15] Show Hide
η 0.0006900 Pa×s 303.15 Physica...
η 0.0006900 Pa×s 303.15 Density...
η 0.0006510 Pa×s 308.15 Physica...
η 0.0006510 Pa×s 308.15 Density...
η 0.0006110 Pa×s 313.15 Physica...
η 0.0006110 Pa×s 313.15 Density...
ΔfusH [7.32; 7.33] kJ/mol [177.10; 177.13] Show Hide
ΔfusH 7.32 kJ/mol 177.10 NIST
ΔfusH 7.32 kJ/mol 177.10 NIST
ΔfusH 7.33 kJ/mol 177.13 NIST
ΔvapH [41.20; 42.10] kJ/mol [384.50; 387.50] Show Hide
ΔvapH 41.90 kJ/mol 384.50 NIST
ΔvapH 42.10 kJ/mol 386.00 NIST
ΔvapH 41.20 kJ/mol 387.50 NIST
n0 [1.48869; 1.49130]   [293.15; 298.20] Show Hide
n0 1.49130 293.15 Liquid ...
n0 1.49120 293.15 Experim...
n0 1.48890 298.15 KDB
n0 1.48869 298.15 Effect ...
n0 1.49005 298.20 Salt Ef...
ρl [857.51; 864.12] kg/m3 [293.00; 298.20] Show Hide
ρl 862.00 kg/m3 293.00 KDB
ρl 857.51 kg/m3 298.15 Thermod...
ρl 864.12 kg/m3 298.15 Liquid-...
ρl 857.54 kg/m3 298.20 Liquid-...
ΔfusS [41.36; 41.37] J/mol×K [177.10; 177.13] Show Hide
ΔfusS 41.37 J/mol×K 177.10 NIST
ΔfusS 41.36 J/mol×K 177.13 NIST
γ 0.03 N/m 293.20 KDB
λ [0.11; 0.13] W/m×K [261.13; 329.83] Show Hide
λ 0.13 W/m×K 261.13 Thermal...
λ 0.13 W/m×K 261.33 Thermal...
λ 0.13 W/m×K 261.48 Thermal...
λ 0.12 W/m×K 275.03 Thermal...
λ 0.12 W/m×K 275.24 Thermal...
λ 0.12 W/m×K 275.40 Thermal...
λ 0.12 W/m×K 294.11 Thermal...
λ 0.12 W/m×K 294.32 Thermal...
λ 0.12 W/m×K 294.47 Thermal...
λ 0.12 W/m×K 312.46 Thermal...
λ 0.12 W/m×K 312.68 Thermal...
λ 0.12 W/m×K 312.84 Thermal...
λ 0.11 W/m×K 329.45 Thermal...
λ 0.11 W/m×K 329.68 Thermal...
λ 0.11 W/m×K 329.83 Thermal...

Datasets

  1. Mass density, kg/m3 (1)
  2. Speed of sound, m/s (1)

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
298.15 100.00 857.94
313.15 100.00 845.05
333.15 100.00 827.73
353.15 100.00 810.17
373.15 100.00 792.31
393.15 100.00 773.98
413.15 100.00 755.04
433.15 10100.00 752.29
298.15 20100.00 871.79
313.15 20100.00 859.97
333.15 20100.00 844.44
353.15 20100.00 828.86
373.15 20100.00 813.36
393.15 20100.00 797.74
413.15 20100.00 781.98
433.15 20100.00 766.12
298.15 40100.00 883.81
313.15 40100.00 872.84
333.15 40100.00 858.51
353.15 40100.00 844.27
373.15 40100.00 830.23
393.15 40100.00 816.2
413.15 40100.00 802.25
433.15 40100.00 788.34
298.15 60100.00 894.47
313.15 60100.00 884.19
333.15 60100.00 870.78
353.15 60100.00 857.52
373.15 60100.00 844.51
393.15 60100.00 831.6
413.15 60100.00 818.85
433.15 60100.00 806.14
298.15 80100.00 904.16
313.15 80100.00 894.38
333.15 80100.00 881.68
353.15 80100.00 869.22
373.15 80100.00 857.0
393.15 80100.00 844.92
413.15 80100.00 833.04
433.15 80100.00 821.27
298.15 100100.00 913.02
313.15 100100.00 903.69
333.15 100100.00 891.56
353.15 100100.00 879.74
373.15 100100.00 868.11
393.15 100100.00 856.72
413.15 100100.00 845.53
433.15 100100.00 834.45
Reference

Speed of sound, m/s

Operational condition: Frequency, MHz = 3 (Liquid)

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Speed of sound, m/s - Liquid
298.15 100.00 1309.1
313.15 100.00 1247.6
333.15 100.00 1168.5
353.15 100.00 1091.8
373.15 100.00 1017.8
393.15 100.00 945.6
413.15 100.00 875.0
433.15 10100.00 897.7
298.15 20100.00 1406.9
313.15 20100.00 1351.3
333.15 20100.00 1280.5
353.15 20100.00 1213.2
373.15 20100.00 1149.2
393.15 20100.00 1088.1
413.15 20100.00 1029.6
433.15 20100.00 974.0
298.15 40100.00 1491.7
313.15 40100.00 1440.0
333.15 40100.00 1374.7
353.15 40100.00 1313.2
373.15 40100.00 1255.1
393.15 40100.00 1200.1
413.15 40100.00 1147.8
433.15 40100.00 1098.9
298.15 60100.00 1566.8
313.15 60100.00 1518.3
333.15 60100.00 1457.2
353.15 60100.00 1399.6
373.15 60100.00 1345.6
393.15 60100.00 1294.7
413.15 60100.00 1246.5
433.15 60100.00 1201.3
298.15 80100.00 1634.8
313.15 80100.00 1588.9
333.15 80100.00 1530.9
353.15 80100.00 1476.5
373.15 80100.00 1425.6
393.15 80100.00 1377.6
413.15 80100.00 1332.1
433.15 80100.00 1289.9
298.15 100100.00 1697.4
313.15 100100.00 1653.3
333.15 100100.00 1598.0
353.15 100100.00 1546.0
373.15 100100.00 1497.4
393.15 100100.00 1451.6
413.15 100100.00 1408.6
433.15 100100.00 1368.6
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [310.56; 454.20] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43493e+01
Coefficient B-3.63341e+03
Coefficient C-5.21730e+01
Temperature range, min.310.56
Temperature range, max.454.20
Pvap 1.33 kPa 310.56 Calculated Property
Pvap 3.02 kPa 326.52 Calculated Property
Pvap 6.26 kPa 342.48 Calculated Property
Pvap 12.01 kPa 358.44 Calculated Property
Pvap 21.61 kPa 374.40 Calculated Property
Pvap 36.80 kPa 390.36 Calculated Property
Pvap 59.72 kPa 406.32 Calculated Property
Pvap 92.95 kPa 422.28 Calculated Property
Pvap 139.48 kPa 438.24 Calculated Property
Pvap 202.66 kPa 454.20 Calculated Property
Pvap [3.82e-07; 3143.15] kPa [177.14; 631.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.02480e+02
Coefficient B-8.96989e+03
Coefficient C-1.29151e+01
Coefficient D7.67090e-06
Temperature range, min.177.14
Temperature range, max.631.15
Pvap 3.82e-07 kPa 177.14 Calculated Property
Pvap 1.32e-03 kPa 227.59 Calculated Property
Pvap 0.15 kPa 278.03 Calculated Property
Pvap 3.20 kPa 328.48 Calculated Property
Pvap 25.23 kPa 378.92 Calculated Property
Pvap 110.81 kPa 429.37 Calculated Property
Pvap 337.42 kPa 479.81 Calculated Property
Pvap 812.07 kPa 530.26 Calculated Property
Pvap 1677.90 kPa 580.70 Calculated Property
Pvap 3143.15 kPa 631.15 Calculated Property

Similar Compounds

Benzene, 1,4-bis(1-methylethyl)-. Benzene, 1,3-bis(1-methylethyl)-. d14 Cymene. p-Cymene. Naphthalene, 2-(1-methylethyl)-. Benzonitrile, 4-(1-methylethyl)-. Benzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl). 1-Tert-butyl-4-isopropylbenzene. Benzene, 1-chloro-4-(1-methylethyl)-. Benzene, 1-ethyl-4-(1-methylethyl)-. 2,6-Diisopropylnaphthalene. Naphthalene, 2,7-diisopropyl. Benzene, 1-bromo-4-(1-methylethyl)-. C9H10O. Benzeneacetaldehyde, «alpha»-methyl-.

Find more compounds similar to Benzene, (1-methylethyl)-.

Mixtures

Find more mixtures with Benzene, (1-methylethyl)-.

Sources

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