Accuracy

ethyl 2-methylene-3-butenoate   1126 Ethyl 2-methylene-3-butenoate

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1116 1,2-Diethoxy ethaneC6H14O2
  1117 1,6-HexanediolC6H14O2
  1118 2,3-Dimethyl-2,3-butanediolC6H14O2
  1119 DihydoxyphenylboraneH7BC6O2
  1120 3-(2-Furanyl)-2-propenalC7H6O2
  1121 Benzoic acidC7H6O2
  1122 Phenyl formateC7H6O2
  1123 TropoloneC7H6O2
  1124 3-Methyl-1,2-benzenediolC7H8O2
  1125 4-Methyl 1,2-BenzenediolC7H8O2
  1126 Ethyl 2-methylene-3-butenoate C7H10O2
  1127 Ethyl 2-pentynoateC7H10O2
  1128 Ethyl 3-pentynoateC7H10O2
  1129 Ethyl 4-pentynoateC7H10O2
  1130 3,5-HeptanedioneC7H12O2
  1131 3-Ethyl-2,4-pentanedioneC7H12O2
  1132 5-Methyl-2,4-hexanedioneC7H12O2
  1133 Butyl 2-propenoateC7H12O2
  1134 Ethyl (Z)-2-pentenoateC7H12O2
  1135 Ethyl (Z)-3-pentenoateC7H12O2
  1136 Ethyl 4-pentenoateC7H12O2


ΔHf: -69.2 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 2-methylene-3-butenoate
 H=-69.2 HR=NIST
  C     0.02896166 +1  -0.02279514 +1   0.07985154 +1
  C     1.26206364 +1   0.39863392 +1   0.36817536 +1
  C     1.92507897 +1   1.47984618 +1  -0.35681150 +1
  C     1.33130555 +1   2.59948573 +1  -0.77796149 +1
  C     3.36961248 +1   1.24752781 +1  -0.60746802 +1
  O     3.88334597 +1   0.29248812 +1  -1.13007506 +1
  O     4.08717263 +1   2.30065586 +1  -0.14750361 +1
  C     5.51232395 +1   2.21419461 +1  -0.30832633 +1
  C     6.02588544 +1   3.52039509 +1   0.27420048 +1
  H    -0.57584491 +1   0.38735755 +1  -0.71476013 +1
  H    -0.46315779 +1  -0.82142910 +1   0.61455252 +1
  H     1.85302256 +1  -0.05587833 +1   1.16824692 +1
  H     1.85284734 +1   3.39555401 +1  -1.29234892 +1
  H     0.27916474 +1   2.80387670 +1  -0.63055438 +1
  H     5.87284820 +1   1.32530617 +1   0.23781274 +1
  H     5.73759311 +1   2.10051966 +1  -1.38324611 +1
  H     5.61981381 +1   4.38504035 +1  -0.26710456 +1
  H     5.72525594 +1   3.63287197 +1   1.32467521 +1
  H     7.11921200 +1   3.57308276 +1   0.22698650 +1