Chemical Properties of 4-t-Butyl-o-xylene (CAS 7397-06-0)

4-t-Butyl-o-xylene

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InChI
InChI=1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3
InChI Key
QRPPSTNABSMSCS-UHFFFAOYSA-N
Formula
C12H18
SMILES
Cc1ccc(C(C)(C)C)cc1C
Molecular Weight1
162.27
CAS
7397-06-0
Other Names
  • 1,2-Dimethyl-4-tert-butylbenzene
  • 1-tert-Butyl-3,4-dimethylbenzene
  • 3,4-Dimethyl-tert-butylbenzene
  • 4-tert-Butyl-1,2-dimethylbenzene
  • 4-tert-Butyl-o-xylene
  • Benzene, 1,2-dimethyl-4-(1,1-dimethylethyl)
  • Benzene, 1,2-dimethyl-4-tert-butyl
  • Benzene, 4-(1,1-dimethylethyl)-1,2-dimethyl-
  • o-Xylene, 4-tert-butyl-
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Physical Properties

Property Value Unit Source
Δf 146.15 kJ/mol Joback Calculated Property
Δfgas -86.17 kJ/mol Joback Calculated Property
Δfus 12.69 kJ/mol Joback Calculated Property
Δvap 44.61 kJ/mol Joback Calculated Property
log10WS -3.74 Crippen Calculated Property
logPoct/wat 3.601 Crippen Calculated Property
McVol 156.180 ml/mol McGowan Calculated Property
Pc 2379.54 kPa Joback Calculated Property
Inp [1192.00; 1205.00]   Show Hide
Inp 1192.00 NIST
Inp 1205.00 NIST
I [1425.00; 1425.00]   Show Hide
I 1425.00 NIST
I 1425.00 NIST
I 1425.00 NIST
I 1425.00 NIST
Tboil 507.37 K Joback Calculated Property
Tc 722.03 K Joback Calculated Property
Tfus 278.88 K Joback Calculated Property
Vc 0.589 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [349.74; 439.68] J/mol×K [507.37; 722.03] Show Hide
Cp,gas 349.74 J/mol×K 507.37 Joback Calculated Property
Cp,gas 367.17 J/mol×K 543.15 Joback Calculated Property
Cp,gas 383.55 J/mol×K 578.92 Joback Calculated Property
Cp,gas 398.95 J/mol×K 614.70 Joback Calculated Property
Cp,gas 413.40 J/mol×K 650.48 Joback Calculated Property
Cp,gas 426.96 J/mol×K 686.25 Joback Calculated Property
Cp,gas 439.68 J/mol×K 722.03 Joback Calculated Property
η [0.0001852; 0.0025008] Pa×s [278.88; 507.37] Show Hide
η 0.0025008 Pa×s 278.88 Joback Calculated Property
η 0.0012488 Pa×s 316.96 Joback Calculated Property
η 0.0007238 Pa×s 355.04 Joback Calculated Property
η 0.0004663 Pa×s 393.12 Joback Calculated Property
η 0.0003246 Pa×s 431.21 Joback Calculated Property
η 0.0002397 Pa×s 469.29 Joback Calculated Property
η 0.0001852 Pa×s 507.37 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 376.00 ± 1.00 K 2.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [357.02; 507.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47344e+01
Coefficient B-4.08763e+03
Coefficient C-7.40760e+01
Temperature range, min.357.02
Temperature range, max.507.87
Pvap 1.33 kPa 357.02 Calculated Property
Pvap 2.99 kPa 373.78 Calculated Property
Pvap 6.16 kPa 390.54 Calculated Property
Pvap 11.79 kPa 407.30 Calculated Property
Pvap 21.22 kPa 424.06 Calculated Property
Pvap 36.19 kPa 440.83 Calculated Property
Pvap 58.91 kPa 457.59 Calculated Property
Pvap 92.04 kPa 474.35 Calculated Property
Pvap 138.75 kPa 491.11 Calculated Property
Pvap 202.63 kPa 507.87 Calculated Property

Similar Compounds

5-t-Butyl-1,2,3-trimethylbenzene. Benzene, 1-(1,1-dimethylethyl)-2,4-dimethyl. Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl. Benzene, 1-(1,1-dimethylethyl)-3-methyl-. Benzene, 1,2-dimethyl-4-(2-chloro-1,1-dimethylethyl). Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl). Benzene, 2-(chloromethyl)-1-methyl-4-(1,1-dimethylethyl). Benzene, 1,2-dimethyl-4-(1-methylethyl)-. 2-tert-Butyltoluene. 4-tert-Butyltoluene. Benzene, 1-(1,1-dimethylethyl)-3-ethyl-. Benzene, 2-methyl-1,4-bis(1-methylethyl)-. 1-Chloromethyl-3-(1,1-dimethylethyl)benzene. Benzene, 1,2,3-trimethyl-5-(1-methylethyl). Benzene, chloro, 1,2-dimethyl, 4-(1,1-dimethylethyl).

Find more compounds similar to 4-t-Butyl-o-xylene.

Sources

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