Accuracy

ethyl nonanoate   1192 Ethyl nonanoate

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    #  Species Formula
  1182 Cyclohexyl butanoateC10H18O2
  1183 Ethyl octanoateC10H20O2
  1184 1,10-DecanediolC10H22O2
  1185 1-Naphthoic acidC11H8O2
  1186 Isonaphthoic acidC11H8O2
  1187 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1188 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1189 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1190 p-tert-Butyl benzoic acidC11H14O2
  1191 Oxacyclododecan-2-oneC11H20O2
  1192 Ethyl nonanoate C11H22O2
  1193 1,1-DibutoxypropaneC11H24O2
  1194 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1195 Pentamethylbenzoic acidC12H16O2
  1196 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1197 Ethyl decanoateC12H24O2
  1198 XanthoneC13H8O2
  1199 Phenyl benzoateC13H10O2
  1200 9,10-AnthroquinoneC14H8O2
  1201 9,10-PhenanthroquinoneC14H8O2
  1202 Nitrogen dioxide, cationNO2


ΔHf: -141.1 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
Ethyl nonanoate
 H=-141.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52019238 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.43628493 +1  104.0586036 +1    0.0000000 +0     2     1     0
  C     1.35623634 +1  116.3005510 +1 -179.9819257 +1     3     2     1
  O     1.20383375 +1  122.2152141 +1   -0.0123702 +1     4     3     2
  C     1.49864911 +1  109.4276467 +1  179.9752405 +1     4     3     5
  C     1.53061250 +1  110.0960703 +1 -179.8785076 +1     6     4     3
  C     1.53234412 +1  110.6764819 +1 -179.9145788 +1     7     6     4
  C     1.53418545 +1  110.3881417 +1 -179.9539372 +1     8     7     6
  C     1.53369211 +1  110.7110864 +1 -179.9263797 +1     9     8     7
  C     1.53382608 +1  110.6590124 +1 -179.9648574 +1    10     9     8
  C     1.53455660 +1  110.7975892 +1 -179.9155482 +1    11    10     9
  C     1.52865992 +1  110.8618424 +1 -179.9788191 +1    12    11    10
  H     1.09790096 +1  111.2780938 +1   59.8717602 +1     1     2     3
  H     1.09793964 +1  111.2758960 +1 -119.0896951 +1     1     2    14
  H     1.09560724 +1  111.1472772 +1 -120.4480289 +1     1     2    15
  H     1.10436621 +1  112.9980171 +1  117.4585719 +1     2     1     3
  H     1.10401961 +1  113.0722845 +1  125.0692433 +1     2     1    17
  H     1.11095137 +1  109.8219370 +1 -122.5083854 +1     6     4     7
  H     1.11115221 +1  109.7813970 +1 -115.0907879 +1     6     4    19
  H     1.10867231 +1  110.0613735 +1  122.4145989 +1     7     6     8
  H     1.10865698 +1  110.0465563 +1  115.2304662 +1     7     6    21
  H     1.10601217 +1  110.2438920 +1 -121.7148706 +1     8     7     9
  H     1.10612157 +1  110.2201697 +1 -116.6402357 +1     8     7    23
  H     1.10630913 +1  110.0852021 +1  121.8956664 +1     9     8    10
  H     1.10637173 +1  110.0582685 +1  116.2735422 +1     9     8    25
  H     1.10574697 +1  110.0927582 +1 -121.8614309 +1    10     9    11
  H     1.10583246 +1  110.0716868 +1 -116.3460220 +1    10     9    27
  H     1.10587679 +1  110.0911789 +1  121.8897761 +1    11    10    12
  H     1.10594853 +1  110.0659914 +1  116.2845189 +1    11    10    29
  H     1.10619991 +1  110.0035932 +1 -121.9231551 +1    12    11    13
  H     1.10628589 +1  109.9848798 +1 -116.2191665 +1    12    11    31
  H     1.09571251 +1  111.4387666 +1  -59.9723046 +1    13    12    11
  H     1.09569078 +1  111.4296386 +1  120.1134252 +1    13    12    33
  H     1.09555890 +1  111.2469167 +1  119.9360693 +1    13    12    34