Accuracy

tetrahydropyran    776 Tetrahydropyran

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   766 TetrahydrofuranC4H8O
   767 Diethyl etherC4H10O
   768 t-ButanolC4H10O
   769 C-C-C-C-C-O (Geo)C5O
   770 2,3-Dihydro-5-methyl-furanC5H8O
   771 2-EthylacroleinC5H8O
   772 3,4-Dihydro-2H-pyranC5H8O
   773 3-Penten-2-oneC5H8O
   774 CyclopentanoneC5H8O
   775 Diethyl ketoneC5H10O
   776 Tetrahydropyran C5H10O
   777 t-Butyl methyl etherC5H12O
   778 Phenoxy, anionC6H5O
   779 PhenolC6H6O
   780 4-Methyl-3-penten-2-oneC6H10O
   781 CyclohexanoneC6H10O
   782 Methyl neopentyl ketoneC6H12O
   783 Di-isopropyl etherC6H14O
   784 BenzaldehydeC7H6O
   785 AnisoleC7H8O
   786 m-CresolC7H8O


ΔHf: -53.4 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tetrahydropyran
 H=-53.4 HR=C&P1970
  O    -0.01414862 +1   0.03207035 +1  -0.02864492 +1
  C     1.40090173 +1   0.01592481 +1   0.01190771 +1
  C     1.97083913 +1   1.43770701 +1   0.00039916 +1
  C     1.37931423 +1   2.23575089 +1   1.16863379 +1
  C    -0.15196426 +1   2.17066007 +1   1.11823009 +1
  C    -0.60221759 +1   0.70758523 +1   1.06698026 +1
  H     1.65162575 +1  -0.54406602 +1  -0.90739868 +1
  H     1.73710731 +1  -0.55478908 +1   0.89487836 +1
  H     3.07256350 +1   1.41399671 +1   0.05829005 +1
  H     1.72020900 +1   1.93172729 +1  -0.95768900 +1
  H     1.71870988 +1   3.28668446 +1   1.12439745 +1
  H     1.74891316 +1   1.83610890 +1   2.13146886 +1
  H    -0.59589085 +1   2.68102653 +1   1.98976604 +1
  H    -0.52109959 +1   2.70395063 +1   0.22140242 +1
  H    -1.68139030 +1   0.60852442 +1   0.84858723 +1
  H    -0.36390620 +1   0.16945468 +1   2.00043915 +1