Accuracy

t-butyl isopropyl ether    804 t-Butyl isopropyl ether

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    #  Species Formula
   794 Bicyclo[2.2.1]heptan-7-olC7H12O
   795 cis-1,2-EpoxycycloheptaneC7H12O
   796 CycloheptanoneC7H12O
   797 2,4-Dimethyl 3-pentanoneC7H14O
   798 2-Methyl cis-cyclohexanolC7H14O
   799 3,3-Dimethyl-2-pentanoneC7H14O
   800 4-HeptanoneC7H14O
   801 HeptanalC7H14O
   802 t-Butyl ethyl ketoneC7H14O
   803 n-HeptanolC7H16O
   804 t-Butyl isopropyl ether C7H16O
   805 BenzofuranC8H6O
   806 1,3-Dihydro isobenzofuranC8H8O
   807 1-PhenylethenolC8H8O
   808 2,3-Dihydro-benzofuranC8H8O
   809 AcetophenoneC8H8O
   810 2,3-Dimethyl phenolC8H10O
   811 2,4-Dimethyl phenolC8H10O
   812 2,5-Dimethyl phenolC8H10O
   813 2,6-Dimethyl phenolC8H10O
   814 2-Ethyl phenolC8H10O


ΔHf: -85.5 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.
  
 PM7
t-Butyl isopropyl ether
 H=-85.5 HR=NIST
  C     0.00362275 +1  -0.00713167 +1   0.00325878 +1
  C    -0.98696740 +1  -1.15817896 +1   0.21690156 +1
  C     1.19059337 +1  -0.10733149 +1   0.96891696 +1
  C     0.48891419 +1   0.03415598 +1  -1.45542513 +1
  O    -0.64648375 +1   1.24666609 +1   0.12363824 +1
  C    -1.23644470 +1   1.58574109 +1   1.36926918 +1
  C    -0.55781884 +1   2.88756271 +1   1.80928746 +1
  C    -2.72820234 +1   1.79476237 +1   1.08897385 +1
  H    -1.33169641 +1  -1.21639613 +1   1.25302481 +1
  H    -1.87236088 +1  -1.02406300 +1  -0.41597626 +1
  H    -0.53346710 +1  -2.12100991 +1  -0.03762498 +1
  H     1.84438594 +1   0.76695645 +1   0.86769282 +1
  H     0.86911074 +1  -0.15618955 +1   2.01291707 +1
  H     1.78906731 +1  -1.00062099 +1   0.76499089 +1
  H    -0.35667846 +1   0.16413122 +1  -2.14132523 +1
  H     1.16125583 +1   0.88505689 +1  -1.61590390 +1
  H     1.01763415 +1  -0.88271027 +1  -1.72541585 +1
  H    -1.08576112 +1   0.78649962 +1   2.12417197 +1
  H     0.51378060 +1   2.73152592 +1   1.97313871 +1
  H    -0.65256482 +1   3.65428480 +1   1.03064618 +1
  H    -0.99797522 +1   3.27839654 +1   2.72962113 +1
  H    -2.87225695 +1   2.52392172 +1   0.28194800 +1
  H    -3.19843663 +1   0.86163879 +1   0.76155108 +1
  H    -3.25455955 +1   2.15771838 +1   1.97516503 +1