Chemical Properties of Benzene, tert-butyl- (CAS 98-06-6)

Benzene, tert-butyl-

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InChI
InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key
YTZKOQUCBOVLHL-UHFFFAOYSA-N
Formula
C10H14
SMILES
CC(C)(C)c1ccccc1
Molecular Weight1
134.22
CAS
98-06-6
Other Names
  • (1,1-dimethylethyl)benzene
  • 1,1-Dimethylethyl-benzene
  • 2-METHYL-2-PHENYLPROPANE
  • 2-PHENYL-2-METHYLPROPANE
  • Benzene, (1,1-dimethylethyl)-
  • Benzene, t-butyl-
  • DIMETHYLETHYLBENZENE
  • NSC 6557
  • Phenyltrimethylmethane
  • Pseudobutylbenzene
  • Trimethylphenylmethane
  • benzene, 1,1-dimethylethyl-
  • t-Butylbenzene
  • tert-Butylbenzene
  • «alpha»-dimethylethylbenzene
  • «alpha»-dimethylethylbenzene

Physical Properties

Property Value Unit Source
ω 0.2650 KDB
Δcliquid [-5865.20; -5856.76] kJ/mol Show Hide
Δcliquid -5865.20 ± 1.10 kJ/mol NIST
Δcliquid -5856.76 kJ/mol NIST
Δcliquid -5859.60 kJ/mol NIST
μ 0.50 debye KDB
Δf 148.57 kJ/mol Joback Calculated Property
Δc,grossH 5867.22 kJ/mol KDB
Δc,netH 5559.700 kJ/mol KDB
Δfgas [-22.70; -22.69] kJ/mol Show Hide
Δfgas -22.69 kJ/mol KDB
Δfgas -22.70 ± 1.40 kJ/mol NIST
Δfliquid -70.80 ± 1.30 kJ/mol NIST
Δfus 8.39 kJ/mol Thermod...
Δvap 38.83 kJ/mol Joback Calculated Property
IE [8.25; 8.83] eV Show Hide
IE 8.68 ± 0.03 eV NIST
IE 8.69 eV NIST
IE Outlier 8.25 eV NIST
IE 8.63 ± 0.01 eV NIST
IE 8.69 eV NIST
IE 8.72 ± 0.01 eV NIST
IE 8.64 eV NIST
IE 8.68 ± 0.01 eV NIST
IE 8.68 ± 0.01 eV NIST
IE 8.81 eV NIST
IE 8.65 eV NIST
IE 8.74 ± 0.05 eV NIST
IE 8.83 eV NIST
log10WS [-3.66; -3.66]   Show Hide
log10WS -3.66 Aq. Sol...
log10WS -3.66 Estimat...
logPoct/wat 2.984 Crippen Calculated Property
McVol 128.000 ml/mol McGowan Calculated Property
Pc 2960.00 kPa KDB
Inp [961.00; 1010.00]   Show Hide
Inp 975.00 NIST
Inp 975.00 NIST
Inp 975.00 NIST
Inp 986.90 NIST
Inp 992.50 NIST
Inp 980.90 NIST
Inp 986.00 NIST
Inp 987.00 NIST
Inp Outlier 1010.00 NIST
Inp Outlier 1008.00 NIST
Inp 986.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 987.00 NIST
Inp 982.00 NIST
Inp 974.00 NIST
Inp 971.00 NIST
Inp 974.90 NIST
Inp 975.40 NIST
Inp 980.00 NIST
Inp Outlier 1008.00 NIST
Inp 988.00 NIST
Inp 994.00 NIST
Inp 1001.00 NIST
Inp 969.90 NIST
Inp 972.50 NIST
Inp 987.60 NIST
Inp 993.50 NIST
Inp 1000.90 NIST
Inp 975.00 NIST
Inp 969.90 NIST
Inp 969.90 NIST
Inp 972.50 NIST
Inp 972.00 NIST
Inp 967.08 NIST
Inp 975.40 NIST
Inp 973.30 NIST
Inp 976.00 NIST
Inp 992.00 NIST
Inp 983.22 NIST
Inp 981.00 NIST
Inp 988.00 NIST
Inp 987.10 NIST
Inp 990.50 NIST
Inp 992.00 NIST
Inp 972.40 NIST
Inp 979.30 NIST
Inp 979.10 NIST
Inp 987.10 NIST
Inp 990.50 NIST
Inp 992.00 NIST
Inp 978.00 NIST
Inp 988.00 NIST
Inp 972.82 NIST
Inp 976.53 NIST
Inp 978.96 NIST
Inp 989.31 NIST
Inp 993.20 NIST
Inp 995.68 NIST
Inp 976.00 NIST
Inp 1001.00 NIST
Inp 988.00 NIST
Inp 963.00 NIST
Inp 976.00 NIST
Inp 994.00 NIST
Inp 977.00 NIST
Inp 984.00 NIST
Inp 984.00 NIST
Inp 984.00 NIST
Inp 975.00 NIST
Inp 994.00 NIST
Inp 971.00 NIST
Inp 975.00 NIST
Inp 975.00 NIST
Inp 980.00 NIST
Inp Outlier 961.00 NIST
Inp 988.00 NIST
Inp 973.00 NIST
Inp 986.00 NIST
Inp 991.00 NIST
Inp 986.40 NIST
Inp 993.80 NIST
Inp 991.70 NIST
Inp 991.90 NIST
Inp 973.30 NIST
Inp Outlier 1008.00 NIST
Inp 985.00 NIST
Inp 1000.00 NIST
Inp 971.00 NIST
I [1215.00; 1287.00]   Show Hide
I 1237.50 NIST
I 1229.50 NIST
I 1215.10 NIST
I 1249.00 NIST
I 1251.00 NIST
I 1262.00 NIST
I 1275.00 NIST
I Outlier 1287.00 NIST
I 1229.00 NIST
I 1239.00 NIST
I 1215.00 NIST
I 1247.00 NIST
I 1215.00 NIST
I 1223.00 NIST
liquid 278.70 J/mol×K NIST
Tboil 442.30 K KDB
Tc 660.00 K KDB
Tfus [214.82; 215.30] K Show Hide
Tfus 215.30 K KDB
Tfus 214.82 K Aq. Sol...
Ttriple [215.00; 215.31] K Show Hide
Ttriple 215.31 K Thermod...
Ttriple 215.00 ± 0.20 K NIST
Vc 0.476 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [258.79; 343.10] J/mol×K [451.65; 670.33] Show Hide
Cp,gas 258.79 J/mol×K 451.65 Joback Calculated Property
Cp,gas 275.46 J/mol×K 488.10 Joback Calculated Property
Cp,gas 290.99 J/mol×K 524.54 Joback Calculated Property
Cp,gas 305.47 J/mol×K 560.99 Joback Calculated Property
Cp,gas 318.94 J/mol×K 597.44 Joback Calculated Property
Cp,gas 331.46 J/mol×K 633.88 Joback Calculated Property
Cp,gas 343.10 J/mol×K 670.33 Joback Calculated Property
Cp,liquid 238.11 J/mol×K 294.30 NIST
η [0.0002313; 0.0057820] Pa×s [231.30; 451.65] Show Hide
η 0.0057820 Pa×s 231.30 Joback Calculated Property
η 0.0023414 Pa×s 268.02 Joback Calculated Property
η 0.0011790 Pa×s 304.75 Joback Calculated Property
η 0.0006880 Pa×s 341.48 Joback Calculated Property
η 0.0004458 Pa×s 378.20 Joback Calculated Property
η 0.0003119 Pa×s 414.92 Joback Calculated Property
η 0.0002313 Pa×s 451.65 Joback Calculated Property
ΔfusH [8.40; 8.41] kJ/mol [215.00; 215.30] Show Hide
ΔfusH 8.41 kJ/mol 215.00 NIST
ΔfusH 8.40 kJ/mol 215.00 NIST
ΔfusH 8.40 kJ/mol 215.00 NIST
ΔfusH 8.40 kJ/mol 215.30 NIST
ΔvapH [37.00; 47.80] kJ/mol [293.00; 409.00] Show Hide
ΔvapH 47.80 ± 0.40 kJ/mol 293.00 NIST
ΔvapH 43.70 kJ/mol 400.00 NIST
ΔvapH 43.10 kJ/mol 406.00 NIST
ΔvapH 42.60 ± 0.20 kJ/mol 409.00 NIST
ΔvapH 39.90 ± 0.30 kJ/mol 409.00 NIST
ΔvapH 37.00 ± 0.50 kJ/mol 409.00 NIST
ΔvapH 45.30 ± 0.20 kJ/mol 409.00 NIST
n0 [1.47754; 1.49024]   [298.15; 323.15] Show Hide
n0 1.49009 298.15 The phy...
n0 1.49003 298.15 Effect ...
n0 1.49018 298.15 Volumet...
n0 1.49009 298.15 Volumet...
n0 1.49024 298.15 KDB
n0 1.48763 303.15 Volumet...
n0 1.48509 308.15 The phy...
n0 1.48509 308.15 Volumet...
n0 1.48256 313.15 Volumet...
n0 1.48256 313.15 The phy...
n0 1.48007 318.15 The phy...
n0 1.48007 318.15 Volumet...
n0 1.47754 323.15 The phy...
ρl [745.23; 915.98] kg/m3 [293.00; 433.15] Show Hide
ρl 867.00 kg/m3 293.00 KDB
ρl 862.28 kg/m3 298.15 Volumet...
ρl 887.54 kg/m3 298.15 Liquid ...
ρl 862.31 kg/m3 298.15 Volumet...
ρl 907.35 kg/m3 298.15 Liquid ...
ρl 862.28 kg/m3 298.15 The phy...
ρl 915.98 kg/m3 298.15 Liquid ...
ρl 862.38 kg/m3 298.15 Liquid ...
ρl 862.23 kg/m3 298.15 Thermod...
ρl 875.86 kg/m3 298.15 Liquid ...
ρl 897.94 kg/m3 298.15 Liquid ...
ρl 858.28 kg/m3 303.15 Volumet...
ρl 854.12 kg/m3 308.15 The phy...
ρl 854.12 kg/m3 308.15 Volumet...
ρl 864.52 kg/m3 313.15 Liquid ...
ρl 849.98 kg/m3 313.15 The phy...
ρl 849.98 kg/m3 313.15 Volumet...
ρl 888.01 kg/m3 313.15 Liquid ...
ρl 897.93 kg/m3 313.15 Liquid ...
ρl 849.98 kg/m3 313.15 Liquid ...
ρl 906.96 kg/m3 313.15 Liquid ...
ρl 877.00 kg/m3 313.15 Liquid ...
ρl 845.87 kg/m3 318.15 The phy...
ρl 845.87 kg/m3 318.15 Volumet...
ρl 841.72 kg/m3 323.15 The phy...
ρl 841.72 kg/m3 323.15 Volumet...
ρl 885.65 kg/m3 333.15 Liquid ...
ρl 875.06 kg/m3 333.15 Liquid ...
ρl 833.32 kg/m3 333.15 Liquid ...
ρl 863.16 kg/m3 333.15 Liquid ...
ρl 849.54 kg/m3 333.15 Liquid ...
ρl 895.25 kg/m3 333.15 Liquid ...
ρl 849.40 kg/m3 353.15 Liquid ...
ρl 816.42 kg/m3 353.15 Liquid ...
ρl 862.22 kg/m3 353.15 Liquid ...
ρl 883.72 kg/m3 353.15 Liquid ...
ρl 873.52 kg/m3 353.15 Liquid ...
ρl 834.50 kg/m3 353.15 Liquid ...
ρl 861.72 kg/m3 373.15 Liquid ...
ρl 872.52 kg/m3 373.15 Liquid ...
ρl 849.64 kg/m3 373.15 Liquid ...
ρl 799.33 kg/m3 373.15 Liquid ...
ρl 835.86 kg/m3 373.15 Liquid ...
ρl 819.57 kg/m3 373.15 Liquid ...
ρl 781.81 kg/m3 393.15 Liquid ...
ρl 837.18 kg/m3 393.15 Liquid ...
ρl 861.47 kg/m3 393.15 Liquid ...
ρl 822.33 kg/m3 393.15 Liquid ...
ρl 850.05 kg/m3 393.15 Liquid ...
ρl 804.50 kg/m3 393.15 Liquid ...
ρl 808.84 kg/m3 413.15 Liquid ...
ρl 850.58 kg/m3 413.15 Liquid ...
ρl 789.38 kg/m3 413.15 Liquid ...
ρl 838.52 kg/m3 413.15 Liquid ...
ρl 824.82 kg/m3 413.15 Liquid ...
ρl 763.74 kg/m3 413.15 Liquid ...
ρl 795.55 kg/m3 433.15 Liquid ...
ρl 840.05 kg/m3 433.15 Liquid ...
ρl 774.28 kg/m3 433.15 Liquid ...
ρl 827.29 kg/m3 433.15 Liquid ...
ρl 745.23 kg/m3 433.15 Liquid ...
ρl 812.75 kg/m3 433.15 Liquid ...
ΔfusS 39.06 J/mol×K 215.00 NIST
csound,fluid [823.70; 1711.70] m/s [298.15; 433.15] Show Hide
csound,fluid 1316.40 m/s 298.15 Thermod...
csound,fluid 1647.90 m/s 298.15 Thermod...
csound,fluid 1711.70 m/s 298.15 Thermod...
csound,fluid 1415.80 m/s 298.15 Thermod...
csound,fluid 1578.50 m/s 298.15 Thermod...
csound,fluid 1501.70 m/s 298.15 Thermod...
csound,fluid 1667.30 m/s 313.15 Thermod...
csound,fluid 1601.70 m/s 313.15 Thermod...
csound,fluid 1360.30 m/s 313.15 Thermod...
csound,fluid 1450.30 m/s 313.15 Thermod...
csound,fluid 1529.80 m/s 313.15 Thermod...
csound,fluid 1255.30 m/s 313.15 Thermod...
csound,fluid 1612.50 m/s 333.15 Thermod...
csound,fluid 1176.90 m/s 333.15 Thermod...
csound,fluid 1543.90 m/s 333.15 Thermod...
csound,fluid 1469.00 m/s 333.15 Thermod...
csound,fluid 1290.10 m/s 333.15 Thermod...
csound,fluid 1385.40 m/s 333.15 Thermod...
csound,fluid 1560.20 m/s 353.15 Thermod...
csound,fluid 1324.40 m/s 353.15 Thermod...
csound,fluid 1411.80 m/s 353.15 Thermod...
csound,fluid 1101.80 m/s 353.15 Thermod...
csound,fluid 1223.50 m/s 353.15 Thermod...
csound,fluid 1489.60 m/s 353.15 Thermod...
csound,fluid 1439.60 m/s 373.15 Thermod...
csound,fluid 1512.40 m/s 373.15 Thermod...
csound,fluid 1029.90 m/s 373.15 Thermod...
csound,fluid 1267.70 m/s 373.15 Thermod...
csound,fluid 1359.00 m/s 373.15 Thermod...
csound,fluid 1161.20 m/s 373.15 Thermod...
csound,fluid 959.30 m/s 393.15 Thermod...
csound,fluid 1392.00 m/s 393.15 Thermod...
csound,fluid 1466.90 m/s 393.15 Thermod...
csound,fluid 1101.10 m/s 393.15 Thermod...
csound,fluid 1213.30 m/s 393.15 Thermod...
csound,fluid 1308.50 m/s 393.15 Thermod...
csound,fluid 1042.60 m/s 413.15 Thermod...
csound,fluid 1423.80 m/s 413.15 Thermod...
csound,fluid 1346.60 m/s 413.15 Thermod...
csound,fluid 1260.20 m/s 413.15 Thermod...
csound,fluid 890.90 m/s 413.15 Thermod...
csound,fluid 1161.10 m/s 413.15 Thermod...
csound,fluid 1304.30 m/s 433.15 Thermod...
csound,fluid 823.70 m/s 433.15 Thermod...
csound,fluid 1383.60 m/s 433.15 Thermod...
csound,fluid 987.20 m/s 433.15 Thermod...
csound,fluid 1215.10 m/s 433.15 Thermod...
csound,fluid 1112.10 m/s 433.15 Thermod...

Similar Compounds

Benzene, 1,4-bis(1,1-dimethylethyl)-. Benzene, 1,3-bis(1,1-dimethylethyl)-. Naphthalene, 2-(1,1-dimethylethyl)-. 4-t-Butylbenzonitrile. Anthracene, 2-(1,1-dimethylethyl)-. 1-Chloro-4-(1,1-dimethylethyl)benzene. Naphthalene, 2,6-bis(1,1-dimethylethyl)-. Benzene, 1-bromo-4-(1,1-dimethylethyl)-. 3-tert-butylbromobenzene. 1-Chloro-2-methyl-2-phenylpropane. m-Tert-butyl chlorobenzene. Naphthalene, 1-(1,1-dimethylethyl)-. 4-tert-Butyltoluene. Phenanthrene, 3,9-bis(1,1-dimethylethyl)-. Benzene, 1,3,5-tri-tert-butyl-.

Find more compounds similar to Benzene, tert-butyl-.

Mixtures

Sources

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