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-
Sources

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
logPoct/wat 3.60 Crippen Calculated Property
Pc 2379.54 kPa Joback Calculated Property
Tboil 376.00 ± 1.00 K NIST
Tc 722.03 K Joback Calculated Property
Tfus 278.88 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 349.74 J/mol×K 507.37 Joback Calculated Property
η 0.00 Pa×s 507.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-CH3 5
>C< 1
=CH- (ring) 3

Similar Compounds

5-T-butyl-1,2,3-trimethylbenzene. 4-isopropyl-1,2-dimethyl-benzene. Benzene, 1,2,3-trimethyl-5-(1-methylethyl). Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-. Benzene, 1-(1,1-dimethylethyl)-3-methyl-. Benzene, 1,2,4-trimethyl-5-(1-methylethyl)-. 1,4-Disiopropyl-2-methylbenzene. Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl. Benzene, 1,4-dimethyl-2,5-bis(1-methylethyl)-. Benzene, 1,3,5-tri-tert-butyl-. 1,3-di-(t-C4H9)-5-CH3-C6H3. Benzene, 1-(1,1-dimethylethyl)-3-ethyl-5-methyl-. Benzene, 1-(1,1-dimethylethyl)-2,4-dimethyl. Benzene, 1,3-bis(1,1-dimethylethyl)-. 1-ISOPROPYL-3-TERT-BUTYLBENZENE.

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