Accuracy

2,3,5,6-tetramethylbenzoic acid   1189 2,3,5,6-Tetramethylbenzoic acid

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    #  Species Formula
  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 acidC11H8O2
  1186 Isonaphthoic acidC11H8O2
  1187 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1188 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1189 2,3,5,6-Tetramethylbenzoic acid C11H14O2
  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
  1196 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1197 Ethyl decanoateC12H24O2
  1198 XanthoneC13H8O2
  1199 Phenyl benzoateC13H10O2


ΔHf: -95.6 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
2,3,5,6-Tetramethylbenzoic acid
 H=-95.63 HR=NIST
  C     0.01727032 +1   0.01108785 +1   0.00429417 +1
  C     1.41472635 +1   0.01744004 +1   0.06312553 +1
  C     2.07338757 +1   1.25244701 +1   0.08961499 +1
  C     1.32149015 +1   2.42841270 +1   0.05315495 +1
  C    -0.07297689 +1   2.41409403 +1  -0.00958231 +1
  C    -0.74251239 +1   1.18509125 +1  -0.03694456 +1
  C    -0.68753316 +1  -1.28531346 +1   0.00670709 +1
  O    -0.87208391 +1  -1.73451385 +1  -1.26525184 +1
  O    -1.08529047 +1  -1.93226396 +1   0.94013548 +1
  C    -0.77846744 +1   3.72860090 +1  -0.04644067 +1
  C    -2.22680003 +1   1.06578783 +1  -0.10661126 +1
  C     3.55823382 +1   1.38369524 +1   0.15440711 +1
  C     2.13100218 +1  -1.28980796 +1   0.09423265 +1
  H     1.83987542 +1   3.38756267 +1   0.07478119 +1
  H    -1.34280838 +1  -2.60219072 +1  -1.31055995 +1
  H    -1.87209490 +1   3.63786435 +1  -0.08239025 +1
  H    -0.48097145 +1   4.31435640 +1  -0.92898805 +1
  H    -0.54065421 +1   4.33138743 +1   0.84281410 +1
  H    -2.62233878 +1   0.50517629 +1   0.75720763 +1
  H    -2.53826669 +1   0.52991878 +1  -1.01830004 +1
  H    -2.74579219 +1   2.03325294 +1  -0.11683520 +1
  H     3.86678771 +1   1.95163948 +1   1.04473146 +1
  H     3.94708038 +1   1.91613735 +1  -0.72664784 +1
  H     4.08180221 +1   0.41931910 +1   0.19754553 +1
  H     1.91973287 +1  -1.87813476 +1  -0.81353173 +1
  H     1.81753047 +1  -1.89604957 +1   0.96013290 +1
  H     3.22258513 +1  -1.19174515 +1   0.15900585 +1