Accuracy

1-naphthoic acid   1185 1-Naphthoic acid

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    #  Species Formula
  1175 2,4,6-Trimethylbenzoic acidC10H12O2
  1176 2-Isopropyl benzoic acidC10H12O2
  1177 2-Methyl-2-phenyl-1,3-dioxolaneC10H12O2
  1178 3,4,5-Trimethylbenzoic acidC10H12O2
  1179 3-Isopropyl benzoic acidC10H12O2
  1180 4-Isopropyl benzoic acidC10H12O2
  1181 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  1182 Cyclohexyl butanoateC10H18O2
  1183 Ethyl octanoateC10H20O2
  1184 1,10-DecanediolC10H22O2
  1185 1-Naphthoic acid C11H8O2
  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 nonanoateC11H22O2
  1193 1,1-DibutoxypropaneC11H24O2
  1194 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1195 Pentamethylbenzoic acidC12H16O2


ΔHf: -53.3 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
1-Naphthoic acid
 H=-53.33 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37105151 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41643658 +1  120.6051665 +1    0.0000000 +0     2     1     0
  C     1.36993794 +1  119.8802369 +1   -0.0331423 +1     3     2     1
  C     1.42258319 +1  120.5050646 +1    0.0040417 +1     4     3     2
  C     1.41581133 +1  119.8511960 +1    0.0250888 +1     5     4     3
  C     1.42825603 +1  118.1984216 +1  179.9799384 +1     6     5     4
  C     1.37855601 +1  120.5524419 +1    0.0219405 +1     7     6     5
  C     1.41322141 +1  120.7452339 +1   -0.0117849 +1     8     7     6
  C     1.37075701 +1  119.9262548 +1   -0.0097044 +1     9     8     7
  C     1.47073721 +1  120.6289164 +1 -179.9922326 +1     7     6     8
  O     1.20546449 +1  130.2196061 +1   -0.1332546 +1    11     7     6
  O     1.36562933 +1  111.1557858 +1  179.9989939 +1    11     7    12
  H     1.09464878 +1  119.5698494 +1 -179.9822299 +1     1     2     3
  H     1.08985501 +1  120.4990376 +1  179.9866691 +1     2     1     3
  H     1.08831294 +1  119.0775424 +1 -179.9954410 +1     3     2     4
  H     1.08861464 +1  120.8161001 +1 -179.9965359 +1     4     3     5
  H     1.09545408 +1  120.8229270 +1 -179.9969740 +1     8     7     9
  H     1.08868952 +1  119.0271528 +1 -179.9992926 +1     9     8    10
  H     1.09058043 +1  120.7511510 +1 -179.9985647 +1    10     9     8
  H     0.98933816 +1  112.7700653 +1 -179.9985848 +1    13    11     7