Accuracy

phenyl benzoate   1037 Phenyl benzoate

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    #  Species Formula
  1027 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1028 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1029 Oxacyclododecan-2-oneC11H20O2
  1030 Ethyl nonanoateC11H22O2
  1031 1,1-DibutoxypropaneC11H24O2
  1032 Pentamethylbenzoic acidC12H16O2
  1033 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1034 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1035 Ethyl decanoateC12H24O2
  1036 XanthoneC13H8O2
  1037 Phenyl benzoate C13H10O2
  1038 9,10-AnthroquinoneC14H8O2
  1039 9,10-PhenanthroquinoneC14H8O2
  1040 Nitrogen dioxideNO2
  1041 Nitrogen dioxide (Geo)NO2
  1042 Nitrous acid (cis)(https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1043 Nitrous acid (trans) (https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1044 Nitrous acid, cisHNO2
  1045 Nitrous acid, transHNO2
  1046 Methyl nitriteCH3NO2
  1047 NitromethaneCH3NO2


ΔHf: -34.0 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.
  

Phenyl benzoate
 H=-34.0 HR=NIST
  O     0.09742903 +1  -0.06968507 +1   0.38960609 +1
  C     1.29674303 +1  -0.08322435 +1   0.33041564 +1
  C     2.20822545 +1   1.07140325 +1   0.29098952 +1
  O     2.01349300 +1  -1.25388882 +1   0.29917657 +1
  C     1.30555519 +1  -2.43923728 +1   0.24771371 +1
  C     0.38991050 +1  -2.68248755 +1  -0.77342267 +1
  C    -0.21684028 +1  -3.93503405 +1  -0.82302632 +1
  C     0.08985417 +1  -4.90458294 +1   0.13192144 +1
  C     1.01518404 +1  -4.63471922 +1   1.14081116 +1
  C     1.63536721 +1  -3.38965303 +1   1.21266652 +1
  C     1.73676196 +1   2.28785239 +1   0.79225560 +1
  C     2.55268123 +1   3.41433890 +1   0.73865212 +1
  C     3.82931889 +1   3.32231526 +1   0.18393588 +1
  C     4.29617640 +1   2.10558178 +1  -0.31188920 +1
  C     3.48724624 +1   0.97238496 +1  -0.25699272 +1
  H     0.14679785 +1  -1.90925997 +1  -1.49793208 +1
  H    -0.93630436 +1  -4.15458345 +1  -1.61032597 +1
  H    -0.40070401 +1  -5.87465309 +1   0.09223851 +1
  H     1.25016622 +1  -5.39891757 +1   1.88025455 +1
  H     2.35131767 +1  -3.15504889 +1   1.99518465 +1
  H     0.73158948 +1   2.34840684 +1   1.21693115 +1
  H     2.19416967 +1   4.36666777 +1   1.12559683 +1
  H     4.46467564 +1   4.20633392 +1   0.13748780 +1
  H     5.29298644 +1   2.04085517 +1  -0.74368739 +1
  H     3.84923601 +1   0.01647915 +1  -0.64141951 +1