Accuracy

perfluoro-di(n-butyl) ether   1658 Perfluoro-di(n-butyl) ether

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    #  Species Formula
  1648 UndecafluoropiperidineC5NF11
  1649 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1650 DodecafluorocyclohexaneC6F12
  1651 Bis-(n-perfluoropropyl ether)C6OF14
  1652 PerfluorotriethylamineC6NF15
  1653 PerfluoroheptaneC7F16
  1654 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1655 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1656 Perfluoro 3-ethyl 2,4 dimethyl pent-2-enC9F18
  1657 Perfluoro cis decalinC10F18
  1658 Perfluoro-di(n-butyl) ether C8OF18
  1659 Perfluoro-2,7-dimethyloctaneC10F22
  1660 PerfluorotributylamineC12NF27
  1661 Neon, atomNe
  1662 Neon fluoride anion (Geo)FNe
  1663 Sodium, cationNa
  1664 Sodium, 2P(u) - 3s(0)3p(1)Na
  1665 Sodium, atomNa
  1666 Sodium, anionNa
  1667 Sodium hydride (Geo)HNa
  1668 Sodium hydrideHNa


ΔHf: -951.0 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.
  
 SHIFT=80 PM7
Perfluoro-di(n-butyl) ether
 H=-951.05 HR=NIST
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.32504173 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56800347 +1  112.2655736 +1    0.0000000 +0     2     1     0
  C     1.56329282 +1  113.4703903 +1  171.9579472 +1     3     2     1
  C     1.56820224 +1  113.5698832 +1  169.3588169 +1     4     3     2
  O     1.38663414 +1  104.0819498 +1  174.2827898 +1     5     4     3
  C     1.38648479 +1  120.1606634 +1  173.5643645 +1     6     5     4
  C     1.56819582 +1  104.0952418 +1  174.0344885 +1     7     6     5
  C     1.56308400 +1  113.5846942 +1  174.5126559 +1     8     7     6
  C     1.56795065 +1  113.4801528 +1  171.6259603 +1     9     8     7
  F     1.32577374 +1  106.5646083 +1  123.2531504 +1     2     1     3
  F     1.32567329 +1  106.5919579 +1  113.5732463 +1     2     1    11
  F     1.33307598 +1  109.2766782 +1  123.0603693 +1     3     2     4
  F     1.33282735 +1  109.5616691 +1  114.0672383 +1     3     2    13
  F     1.33192185 +1  109.9034327 +1  122.6035670 +1     4     3     5
  F     1.33218308 +1  110.2956203 +1  115.0062479 +1     4     3    15
  F     1.32665566 +1  112.6971480 +1  120.7834528 +1     5     4     6
  F     1.32703045 +1  112.7564014 +1  119.2072091 +1     5     4    17
  F     1.32713834 +1  110.7395966 +1  121.3829924 +1     7     6     8
  F     1.32672775 +1  111.3513776 +1  116.8857300 +1     7     6    19
  F     1.33221991 +1  108.7162442 +1  123.2373927 +1     8     7     9
  F     1.33200382 +1  109.0875263 +1  113.7115243 +1     8     7    21
  F     1.33289466 +1  109.6081338 +1  122.7699800 +1     9     8    10
  F     1.33306788 +1  109.8915174 +1  114.4523986 +1     9     8    23
  F     1.32560543 +1  112.1209684 +1  -66.0784864 +1    10     9     8
  F     1.32574901 +1  112.2097458 +1  120.0183268 +1    10     9    25
  F     1.32506554 +1  112.2311729 +1  120.0076162 +1    10     9    26