Accuracy

4-isopropyl benzoic acid   1180 4-Isopropyl benzoic acid

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    #  Species Formula
  1170 1-Phenyl-1,3-butanedioneC10H10O2
  1171 2,3,4-Trimethylbenzoic acidC10H12O2
  1172 2,3,5-Trimethylbenzoic acidC10H12O2
  1173 2,3,6-Trimethylbenzoic acidC10H12O2
  1174 2,4,5-Trimethylbenzoic acidC10H12O2
  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 acid C10H12O2
  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 acidC11H14O2
  1190 p-tert-Butyl benzoic acidC11H14O2


ΔHf: -91.5 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
4-Isopropyl benzoic acid
 H=-91.47 HR=NIST
  C    -0.00210438 +1   0.00596595 +1  -0.06161329 +1
  C     1.35104074 +1   0.03725124 +1  -0.40438514 +1
  C     2.02946442 +1   1.25164384 +1  -0.42120520 +1
  C     1.36565196 +1   2.43639926 +1  -0.09021899 +1
  C     0.00918495 +1   2.39738436 +1   0.24957422 +1
  C    -0.67525999 +1   1.18768379 +1   0.26225394 +1
  C    -0.76078016 +1  -1.24910582 +1  -0.02795121 +1
  O    -1.93646185 +1  -1.40237950 +1   0.19106229 +1
  O     0.02864788 +1  -2.32976451 +1  -0.28246769 +1
  C     2.07742252 +1   3.76458068 +1  -0.11623168 +1
  C     2.23580957 +1   4.21263308 +1  -1.57542397 +1
  C     3.43894532 +1   3.68673546 +1   0.58287446 +1
  H     1.87376068 +1  -0.88869871 +1  -0.65840037 +1
  H     3.08231404 +1   1.27677123 +1  -0.69487033 +1
  H    -0.51591263 +1   3.31630441 +1   0.50325997 +1
  H    -1.73656871 +1   1.15368908 +1   0.52399216 +1
  H    -0.46744096 +1  -3.18508672 +1  -0.25756645 +1
  H     1.45885518 +1   4.53007180 +1   0.42195490 +1
  H     1.26240821 +1   4.29456725 +1  -2.07368064 +1
  H     2.83939011 +1   3.50320012 +1  -2.15198348 +1
  H     2.72462108 +1   5.19122647 +1  -1.63786679 +1
  H     4.15167277 +1   3.07070598 +1   0.02422242 +1
  H     3.34685297 +1   3.25560715 +1   1.58684677 +1
  H     3.88521797 +1   4.68200758 +1   0.68966721 +1