References
- Könst , W. M. B. , Apeldoorn , W. and Boelens , H. in press . Synthetic Communications , See e. g.
- Wienhaus , H. and Treibs , W. 1923 . Ber. , 56 : 1648
- Oppenauer , R. V. and Oberauch , H. 1949 . Anales Asoc. Quim. Argentina , 37 : 246 CA, 44, 3871 c.
- Leo , A. and Westheimer , F. H. 1952 . J. Amer. Chem. Soc. , 74 : 4383
- The ASTM Chemical Thermodynamic and Energy Release Evalution Program CHETAH6 computes four criteria for a potential energy hazard, based on classical thermodynamic calculations. DTBC (MW = 230) has the following properties: ΔH25 f-246 Kcal/mol, ΔHcombustion-1134 Kcal/mol7. Maximum energy is released in the reaction: DTBC → 4.75 C + 2.5 H2O + 3.25 CH4 + 0.5 Cr2O3, ΔHmax. -91.5 Kcal Criterion 1, ΔHmax -0.4 Kcal/g -0.7 < c1 <-0.4 rated as medium, Criterion 2, ΔHcomb-ΔHmax=4.5 Kcal/g. Compared with ΔHmax 6 this value is rated as medium, Criterion 3, % Oxygen necessary for complete combustion to CO2 and H2O according to Lothrop et al.8 Value for DTBC is -156.4 and is rated as medium., Criterion 4, to account for the fact that although small quantities of a compound may not be dangerous, large quantities may be indeed. A value of 11.9 is calculated and rated as medium., The overall conclusion is that DTBC is not an explosive (not shock-sensitive)
- Seaton , W. H. , Freedman , E. and Treweek , D. N. 1974 . CHETAH Philadelphia The ASTM Chemical Thermodynamic and Energy Release Evaluation Program
- For these calculations CHETAH was supplemented and corrected with ΔH for CrO3 and Cr2O3 Average values were taken from several sources (Perry, Landolt-Börnstein, Hougen): ΔH CrO3 (cryst.)-140 Kcal/mol; Cr2O3 (amorph) -271 Kcal/mol
- Lothrop , W. C. and Handrick , G. R. 1949 . Chem. Rev. , 44 : 419
- Roberts , D. L. , Heckman , R. A. , Hege , B. P. and Bellin , S. A. 1968 . J. Org. Chem. , 33 : 3566
- Wienhaus , H. and Treibs , W. 1914 . Ber. , 47 : 322
- Using CHETAH6,7 a reaction enthalpy of -15.1 Kcal is calculated