|
|
DHf: -45.3 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
3-Ethyl pentane HR=NIST H=-45.34 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.52647367 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.54460109 +1 113.1257765 +1 0.0000000 +0 2 1 0 0.0000 C 1.54614500 +1 111.8903496 +1 81.8923799 +1 3 2 1 0.0000 C 1.52623436 +1 112.9970932 +1 -80.8066290 +1 4 3 2 0.0000 C 1.54684820 +1 110.1839271 +1 121.7646798 +1 3 2 4 0.0000 C 1.52662582 +1 112.5259159 +1 72.8009504 +1 6 3 2 0.0000 H 1.10208905 +1 111.1999440 +1 -54.3862725 +1 1 2 3 0.0000 H 1.09558909 +1 111.5587591 +1 119.6565909 +1 1 2 8 0.0000 H 1.09484479 +1 111.2978133 +1 120.2613578 +1 1 2 9 0.0000 H 1.10685885 +1 109.7635470 +1 123.0479826 +1 2 1 3 0.0000 H 1.10923830 +1 108.8923776 +1 115.0357652 +1 2 1 11 0.0000 H 1.11662472 +1 108.6998601 +1 118.4172916 +1 3 2 6 0.0000 H 1.10700038 +1 109.7380743 +1 122.9141597 +1 4 3 5 0.0000 H 1.10846709 +1 109.6683981 +1 115.4632645 +1 4 3 14 0.0000 H 1.09550543 +1 111.6074009 +1 -65.2253389 +1 5 4 3 0.0000 H 1.10211595 +1 111.2167788 +1 119.9066853 +1 5 4 16 0.0000 H 1.09520209 +1 111.2306595 +1 119.9174735 +1 5 4 17 0.0000 H 1.10821576 +1 109.5233905 +1 121.4336584 +1 6 3 7 0.0000 H 1.10664315 +1 109.9003222 +1 115.6181590 +1 6 3 19 0.0000 H 1.09703578 +1 111.5772988 +1 -58.8921522 +1 7 6 3 0.0000 H 1.09607061 +1 111.5540028 +1 119.9615223 +1 7 6 21 0.0000 H 1.09556883 +1 111.1923730 +1 120.0176295 +1 7 6 22 0.0000