Detail of "666-52-4"

Reference

Excess enthalpy

Excess enthalpy. (2H6)-2-propanone - cyclohexane system. Fenby, D. V. (Chem. Dep., Univ. Otago, Dunedin, N. Z.). Int. DATA Ser., Sel. Data Mixtures, Ser. A, (4), 224 (English) 1984. CODEN: ISDMAT. ISSN: 0147-1503. DOCUMENT TYPE: Journal CA Section: 69 (Thermodynamics, Thermochemistry, and Thermal Properties) A data table. A correlation equation and heat of mixing data are given for 2-propanone-d6 [666-52-4] and cyclohexane [110-82-7] at 298.15 K.

Isotopic dilution, self-association, and Raman non-coincidence in the binary system (CH3)2C=O+(CD3)2C=O reinvestigated by polarized Raman measurement and ab initio calculations

Isotopic dilution, self-association, and Raman non-coincidence in the binary system (CH3)2C=O+(CD3)2C=O reinvestigated by polarized Raman measurement and ab initio calculations. Srivastava, Sunil K.; Ojha, Animesh K.; Koster, J.; Shukla, M. K.; Leszczynski, J.; Asthana, B. P.; Kiefer, W. (Department of Physics, Laser and Spectroscopy Laboratory, Banaras Hindu University, Varanasi 221005, India). Journal of Molecular Structure, 661-662, 11-21 (English) 2003 Elsevier Science B.V. CODEN: JMOSB4. ISSN: 0022-2860.Several reagents with their cas registry numbers 666-52-4 and 67-64-1 are used here. DOCUMENT TYPE: Journal CA Section: 73 (Optical, Electron, and Mass Spectroscopy and Other Related Properties) Section cross-reference(s): 22 Raman spectra of the binary system Me2C:O (acetone)+(CD3)2C:O (acetone-d6) were restudied employing a more precise and sensitive scanning multichannel detection scheme. The Iw and I^ components of the Raman scattered radiation were recorded in the C=O stretching region, 1600-1800 cm-1 as well as in the C-D and C-H stretching regions, 2000-2300 and 2800-3100 cm-1, resp., in different mixts. with the varying mole fractions of the ref. system. A careful Raman line shape anal. yielded after fit Dnnc due to Raman noncoincidence effect (NCE) in acetone and acetone-d6 as 4.87 ± 0.01 and 4.49 ± 0.01 cm-1, resp. The optimized geometries and wavenumbers of the neat acetone mol. and its self-assocd. structure were calcd. using ab initio method at the MP2 level using 6-31++G(d,p) basis set. The influence of self-assocn. and NCE together were examd. A systematic study of Raman line shape anal. led to a hitherto unexplored aspect, the wavenumber shift and linewidth variation of the n1(C-H) stretching mode of acetone upon isotopic diln. The linewidth variation with the mole fraction of the ref. system shows an excellent agreement with the corresponding linewidths derived from the T2 values obtained by three color fs-CARS study reported earlier. .