Chemical Properties of 1-Tert-butyl-4-isopropylbenzene

1-Tert-butyl-4-isopropylbenzene

InChI
InChI=1S/C13H20/c1-10(2)11-6-8-12(9-7-11)13(3,4)5/h6-10H,1-5H3
InChI Key
QLPNXSSDHYYKBS-UHFFFAOYSA-N
Formula
C13H20
SMILES
CC(C)c1ccc(C(C)(C)C)cc1
Molecular Weight1
176.30
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Physical Properties

Property Value Unit Source
ω 0.3869 Relay (1.0) Calculated Property
ΔfG° 161.76 kJ/mol Joback Calculated Property
ΔfH°gas -100.75 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.14 kJ/mol Joback Calculated Property
ΔvapH° 62.04 kJ/mol Relay (1.0) Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
log10WS -5.58 Relay (1.0) Calculated Property
logPoct/wat 4.107 Crippen Calculated Property
McVol 170.270 ml/mol McGowan Calculated Property
Pc 2218.71 kPa Joback Calculated Property
Tboil 494.26 K Relay (1.0) Calculated Property
Tc 704.33 K Relay (1.0) Calculated Property
Tfus 251.21 K Relay (1.0) Calculated Property
Vc 0.639 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [224.78; 570.45] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.46900e+01
Coefficient B1.23220e+00
Coefficient C-8.22560e-04
Coefficient D2.15500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 224.78 J/mol×K 273.00 Calculated Property
Cp,gas 287.83 J/mol×K 353.78 Calculated Property
Cp,gas 343.12 J/mol×K 434.56 Calculated Property
Cp,gas 391.35 J/mol×K 515.33 Calculated Property
Cp,gas 433.19 J/mol×K 596.11 Calculated Property
Cp,gas 469.33 J/mol×K 676.89 Calculated Property
Cp,gas 500.44 J/mol×K 757.67 Calculated Property
Cp,gas 527.21 J/mol×K 838.44 Calculated Property
Cp,gas 550.32 J/mol×K 919.22 Calculated Property
Cp,gas 570.45 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0050928; 0.0001753] Pa×s [262.63; 517.96] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.21148e+01
Coefficient B1.79504e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.262.63
Temperature range, max.517.96
η 0.0050928 Pa×s 262.63 Calculated Property
η 0.0026155 Pa×s 291.00 Calculated Property
η 0.0015121 Pa×s 319.37 Calculated Property
η 0.0009560 Pa×s 347.74 Calculated Property
η 0.0006476 Pa×s 376.11 Calculated Property
η 0.0004634 Pa×s 404.48 Calculated Property
η 0.0003464 Pa×s 432.85 Calculated Property
η 0.0002684 Pa×s 461.22 Calculated Property
η 0.0002142 Pa×s 489.59 Calculated Property
η 0.0001753 Pa×s 517.96 Calculated Property

Similar Compounds

Benzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl). Benzene, 1,4-bis(1-methylethyl)-. d14 Cymene. p-Cymene. Benzene, 1-(1,1-dimethylethyl)-4-ethyl-. 4-Isopropylbenzonitrile. Propanal, 2-methyl-2-(4-isopropylphenyl). Benzene, 1-ethyl-4-(1-methylethyl)-. Benzene, (1-methylethyl)-. Benzene ethanal,4-[1,1-dimethyl]-, «alpha»-methyl-. Benzeneacetaldehyde, «alpha»-methyl-4-(1,1-dimethylethyl). Benzaldehyde, 4-(1-methylethyl)-. 1-ISOPROPYL-3-TERT-BUTYLBENZENE. 4-Isopropylphenylacetonitrile. 4-tert-Butyltoluene.

Find more compounds similar to 1-Tert-butyl-4-isopropylbenzene.

Sources

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