Accuracy

decyl methyl ether    903 Decyl methyl ether

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

    

    #  Species Formula
   893 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   894 DecanolC10H22O
   895 Dipentyl etherC10H22O
   896 2,4,5-Trimethyl-acetophenoneC11H14O
   897 2,4,6-Trimethyl-acetophenoneC11H14O
   898 2-tert-Butyl-p-cresolC11H16O
   899 3-Methyl-2-phenylbutane-2-olC11H16O
   900 CycloundecanoneC11H20O
   901 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   902 Dipentyl ketoneC11H22O
   903 Decyl methyl ether C11H24O
   904 DibenzofuranC12H8O
   905 m-HydroxybiphenylC12H10O
   906 o-HydroxybiphenylC12H10O
   907 p-HydroxybiphenylC12H10O
   908 Isobutyl phenyl ketoneC12H16O
   909 2,6-DiisopropylphenolC12H18O
   910 BenzophenoneC13H10O
   911 AnthoneC14H10O
   912 1,1'-DiadamantylketoneC21H30O
   913 Nitric oxide, cationNO


ΔHf: -91.1 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
Decyl methyl ether
 H=-91.08 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52899629 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53443317 +1  110.8915593 +1    0.0000000 +0     2     1     0
  C     1.53383031 +1  110.7849318 +1 -179.8999815 +1     3     2     1
  C     1.53390627 +1  110.7013271 +1 -179.8119328 +1     4     3     2
  C     1.53391381 +1  110.6983164 +1 -179.8536760 +1     5     4     3
  C     1.53393233 +1  110.6717880 +1 -179.7975014 +1     6     5     4
  C     1.53420010 +1  110.6621749 +1 -179.8318801 +1     7     6     5
  C     1.53082820 +1  110.5292066 +1 -179.7957917 +1     8     7     6
  C     1.53163254 +1  110.3766322 +1 -179.8120665 +1     9     8     7
  O     1.42434783 +1  103.7671501 +1 -179.7097964 +1    10     9     8
  C     1.41286592 +1  112.8854328 +1 -179.7206862 +1    11    10     9
  H     1.09560175 +1  111.4305870 +1   60.2209331 +1     1     2     3
  H     1.09562029 +1  111.4392862 +1 -120.1157165 +1     1     2    13
  H     1.09545759 +1  111.2266467 +1 -119.9435276 +1     1     2    14
  H     1.10619758 +1  109.9493110 +1 -121.9431231 +1     2     1     3
  H     1.10630882 +1  109.9478305 +1 -116.1592084 +1     2     1    16
  H     1.10575872 +1  109.9533538 +1  121.9475769 +1     3     2     4
  H     1.10586948 +1  109.9397252 +1  116.1301369 +1     3     2    18
  H     1.10579686 +1  110.0029428 +1 -121.8830549 +1     4     3     5
  H     1.10588647 +1  110.0066276 +1 -116.2747179 +1     4     3    20
  H     1.10590935 +1  110.0011110 +1  121.8838335 +1     5     4     6
  H     1.10602005 +1  109.9889604 +1  116.2534853 +1     5     4    22
  H     1.10580349 +1  109.9844854 +1 -121.8914464 +1     6     5     7
  H     1.10589872 +1  109.9876689 +1 -116.2583282 +1     6     5    24
  H     1.10610325 +1  110.0446582 +1  121.8640739 +1     7     6     8
  H     1.10622101 +1  110.0304418 +1  116.2919558 +1     7     6    26
  H     1.10631388 +1  109.9118006 +1 -121.8769342 +1     8     7     9
  H     1.10638759 +1  109.9196619 +1 -116.2842979 +1     8     7    28
  H     1.10700218 +1  110.8395876 +1  121.7200929 +1     9     8    10
  H     1.10723845 +1  110.8211593 +1  116.5938273 +1     9     8    30
  H     1.10309630 +1  112.0303444 +1 -118.1150825 +1    10     9    11
  H     1.10288222 +1  112.1028675 +1 -123.7497515 +1    10     9    32
  H     1.09428976 +1  111.1724492 +1   62.0542031 +1    12    11    10
  H     1.09426586 +1  111.1886823 +1 -123.9911179 +1    12    11    34
  H     1.09767562 +1  103.0971717 +1 -118.0041222 +1    12    11    35