Chemical Properties of Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro- (CAS 81-15-2)

Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-

PDF Excel Molecule Calculator
InChI
InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChI Key
XMWRWTSZNLOZFN-UHFFFAOYSA-N
Formula
C12H15N3O6
SMILES
Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]
Molecular Weight1
297.26
CAS
81-15-2
Other Names
  • 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
  • 2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene
  • 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene
  • 2,4,6-Trinitro-5-tert-butyl-m-xylene
  • 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene
  • 5-t-Butyl-2,4,6-trinitro-m-xylene
  • 5-tert-Butyl-2,4,6-trinitro-m-xylene
  • 5-tert-Butyl-2,4,6-trinitroxylene
  • Benzene, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-
  • Musk xylene
  • Musk xylol
  • NSC 59844
  • m-xylene, 5-tert-butyl-2,4,6-trinitro-
  • xylene musk
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf 223.91 kJ/mol Joback Calculated Property
Δfgas -152.86 kJ/mol Joback Calculated Property
Δfus 45.60 kJ/mol Joback Calculated Property
Δvap 96.37 kJ/mol Joback Calculated Property
log10WS -5.69 Crippen Calculated Property
logPoct/wat 3.326 Crippen Calculated Property
McVol 208.440 ml/mol McGowan Calculated Property
Pc 2358.78 kPa Joback Calculated Property
Inp [1811.00; 1843.00]   Show Hide
Inp 1843.00 NIST
Inp 1813.60 NIST
Inp 1813.60 NIST
Inp 1811.00 NIST
Inp 1813.60 NIST
Tboil 977.83 K Joback Calculated Property
Tc 1251.52 K Joback Calculated Property
Tfus 747.27 K Joback Calculated Property
Vc 0.835 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [639.87; 687.36] J/mol×K [977.83; 1251.52] Show Hide
Cp,gas 639.87 J/mol×K 977.83 Joback Calculated Property
Cp,gas 649.86 J/mol×K 1023.45 Joback Calculated Property
Cp,gas 658.89 J/mol×K 1069.06 Joback Calculated Property
Cp,gas 667.06 J/mol×K 1114.68 Joback Calculated Property
Cp,gas 674.47 J/mol×K 1160.29 Joback Calculated Property
Cp,gas 681.20 J/mol×K 1205.91 Joback Calculated Property
Cp,gas 687.36 J/mol×K 1251.52 Joback Calculated Property
ΔfusH 20.79 kJ/mol 386.70 NIST
ΔsubH 100.40 kJ/mol 330.00 NIST

Similar Compounds

5-tert-Butyl-4,6-dinitro-1,2,3-trimethylbenzene. Musk ketone. 2,4,6 Tri-tert-butylnitrobenzene. Acetanilide, 2-methyl-3-nitro-6-tert-butyl-. 4,6-Dinitro-1,1,3,3,5-pentamethylindane. Benzene, 1,2,3,5-tetramethyl-4,6-dinitro-. medinoterb acetate. Musk ambrette (artificial). Aniline, n,2-di-tert-butyl-4-methyl-. Benzene, 1,3,5-trimethyl-2,4-dinitro-. Aniline, 2,4-dimethyl-6-tert-butyl-. Aniline, 2-methyl-4,6-di-tert-butyl-. Acetanilide, 2-tert-butyl-6-methyl-. 1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene. Acetamide, n-[2-[1,1-dimethylethyl)-4-methylphenyl].

Find more compounds similar to Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.