Chemical Properties of 4-tert-Butyltoluene (CAS 98-51-1)

4-tert-Butyltoluene

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InChI
InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
InChI Key
QCWXDVFBZVHKLV-UHFFFAOYSA-N
Formula
C11H16
SMILES
Cc1ccc(C(C)(C)C)cc1
Molecular Weight1
148.24
CAS
98-51-1
Other Names
  • Benzene, 1-(1,1-dimethylethyl)-4-methyl-
  • Toluene, p-tert-butyl-
  • p-tert-Butyltoluene
  • 1-tert-Butyl-4-Methylbenzene
  • 1-Methyl-4-tert-butylbenzene
  • 4-tert-Butyl-1-Methylbenzene
  • 4-Methyl-tert-butylbenzene
  • Benzene, 1-methyl-4-tert-butyl-
  • p-Methyl-tert-butylbenzene
  • TBT
  • 4-t-Butyltoluene
  • 1-(1,1-Dimethylethyl)-4-methyl-benzene
  • p-t-Butyl toluene
  • NSC 6589

Physical Properties

Property Value Unit Source
Δf 147.36 kJ/mol Joback Calculated Property
Δfgas -57.00 ± 2.00 kJ/mol NIST
Δfus 10.48 kJ/mol Joback Calculated Property
Δvap [52.20; 52.20] kJ/mol Show Hide
Δvap 52.20 ± 0.10 kJ/mol NIST
Δvap 52.20 ± 0.60 kJ/mol NIST
IE [8.12; 8.31] eV Show Hide
IE 8.28 ± 0.02 eV NIST
IE 8.12 eV NIST
IE 8.31 eV NIST
log10WS -3.26 Crippen Calculated Property
logPoct/wat 3.293 Crippen Calculated Property
McVol 142.090 ml/mol McGowan Calculated Property
Pc 2659.77 kPa Joback Calculated Property
Inp [1066.00; 1101.00]   Show Hide
Inp 1072.00 NIST
Inp 1072.00 NIST
Inp 1085.00 NIST
Inp 1091.00 NIST
Inp 1097.00 NIST
Inp 1072.30 NIST
Inp 1074.70 NIST
Inp 1084.60 NIST
Inp 1091.30 NIST
Inp 1097.30 NIST
Inp 1072.30 NIST
Inp 1074.70 NIST
Inp 1069.11 NIST
Inp 1072.20 NIST
Inp 1075.60 NIST
Inp 1076.00 NIST
Inp 1097.00 NIST
Inp 1091.95 NIST
Inp 1072.50 NIST
Inp 1101.00 NIST
Inp 1079.50 NIST
Inp 1079.00 NIST
Inp 1073.37 NIST
Inp 1077.11 NIST
Inp 1079.53 NIST
Inp 1089.21 NIST
Inp 1093.17 NIST
Inp 1095.91 NIST
Inp 1076.00 NIST
Inp 1091.00 NIST
Inp 1087.00 NIST
Inp 1066.00 NIST
Inp 1088.00 NIST
Inp 1094.00 NIST
Inp 1081.00 NIST
Inp 1091.00 NIST
Inp 1092.00 NIST
Inp 1078.00 NIST
Inp 1076.00 NIST
Inp 1076.00 NIST
Inp 1092.00 NIST
I [1304.90; 1379.00]   Show Hide
I 1304.90 NIST
I 1355.10 NIST
I 1341.00 NIST
I 1341.00 NIST
I 1353.00 NIST
I 1365.00 NIST
I 1379.00 NIST
I 1329.00 NIST
I 1305.00 NIST
I 1305.00 NIST
I 1355.00 NIST
Tboil [461.00; 466.20] K Show Hide
Tboil 463.70 K NIST
Tboil 466.20 K NIST
Tboil 466.00 K NIST
Tboil 465.90 ± 0.50 K NIST
Tboil 465.90 ± 0.20 K NIST
Tboil 465.90 ± 0.20 K NIST
Tboil 462.00 ± 3.00 K NIST
Tboil 463.00 ± 4.00 K NIST
Tboil 464.00 ± 5.00 K NIST
Tboil 466.00 ± 4.00 K NIST
Tboil 461.00 ± 6.00 K NIST
Tboil 463.00 ± 3.00 K NIST
Tc 696.31 K Joback Calculated Property
Tfus 255.09 K Joback Calculated Property
Vc 0.532 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [303.53; 390.76] J/mol×K [479.51; 696.31] Show Hide
Cp,gas 303.53 J/mol×K 479.51 Joback Calculated Property
Cp,gas 320.58 J/mol×K 515.64 Joback Calculated Property
Cp,gas 336.56 J/mol×K 551.78 Joback Calculated Property
Cp,gas 351.51 J/mol×K 587.91 Joback Calculated Property
Cp,gas 365.49 J/mol×K 624.04 Joback Calculated Property
Cp,gas 378.55 J/mol×K 660.18 Joback Calculated Property
Cp,gas 390.76 J/mol×K 696.31 Joback Calculated Property
η [0.0002067; 0.0036767] Pa×s [255.09; 479.51] Show Hide
η 0.0036767 Pa×s 255.09 Joback Calculated Property
η 0.0016745 Pa×s 292.49 Joback Calculated Property
η 0.0009115 Pa×s 329.90 Joback Calculated Property
η 0.0005616 Pa×s 367.30 Joback Calculated Property
η 0.0003784 Pa×s 404.70 Joback Calculated Property
η 0.0002726 Pa×s 442.11 Joback Calculated Property
η 0.0002067 Pa×s 479.51 Joback Calculated Property
ΔvapH [49.10; 52.30] kJ/mol [296.50; 403.50] Show Hide
ΔvapH 52.30 ± 0.50 kJ/mol 296.50 NIST
ΔvapH 49.10 kJ/mol 403.50 NIST

Similar Compounds

Benzene, 1-(1,1-dimethylethyl)-4-ethyl-. Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-. p-tert-Butylbenzyl bromide. Benzene, 1-(1,1-dimethylethyl)-3-methyl-. Benzene, 1,4-bis(1,1-dimethylethyl)-. Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]. Benzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl). 1-Tert-butyl-4-isopropylbenzene. d14 Cymene. p-Cymene. 4-t-Butyl-o-xylene. Benzenemethanol, 4-(1,1-dimethylethyl)-. 4-tert-butylbenzaldehyde. Benzene, 1-(1,1-dimethylethyl)-4-(2-fluoroethyl). Benzene, 1-(1,1-dimethylethyl)-2,4-dimethyl.

Find more compounds similar to 4-tert-Butyltoluene.

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