Accuracy

methyl 3-methylbutanoate   1110 Methyl 3-methylbutanoate

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    #  Species Formula
  1100 3-Methyl-2,4-pentandioneC6H10O2
  1101 Ethyl-(E)-2-butenoateC6H10O2
  1102 1,1-Dimethoxy-2-buteneC6H12O2
  1103 4-Hydroxy-4-methylpentan-2-oneC6H12O2
  1104 5,5-Dimethyl-1,3-dioxaneC6H12O2
  1105 cis-2,4-Dimethyl-1,3-dioxaneC6H12O2
  1106 Ethyl butanoateC6H12O2
  1107 Hexanoic acidC6H12O2
  1108 Methyl 2-methylbutanoateC6H12O2
  1109 Methyl 2,2-dimethyl-propanoateC6H12O2
  1110 Methyl 3-methylbutanoate C6H12O2
  1111 Methyl pentanoateC6H12O2
  1112 t-Butyl acetateC6H12O2
  1113 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1114 1,1-Diethoxy ethaneC6H14O2
  1115 1,1-Dimethoxy-butaneC6H14O2
  1116 1,2-Diethoxy ethaneC6H14O2
  1117 1,6-HexanediolC6H14O2
  1118 2,3-Dimethyl-2,3-butanediolC6H14O2
  1119 DihydoxyphenylboraneH7BC6O2
  1120 3-(2-Furanyl)-2-propenalC7H6O2


ΔHf: -119.0 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.
  
 PM7
Methyl 3-methylbutanoate
 H=-119.0 HR=NIST
  C    -0.02959193 +1  -0.10362579 +1  -0.15536829 +1
  O     1.38322000 +1   0.03795439 +1  -0.06308338 +1
  C     1.89738562 +1   1.22335022 +1  -0.49275563 +1
  C     3.38826418 +1   1.18377156 +1  -0.36832855 +1
  C     3.95992879 +1   2.60312289 +1  -0.19117672 +1
  C     3.58195818 +1   3.16671723 +1   1.18121044 +1
  C     5.48267118 +1   2.55703722 +1  -0.35264521 +1
  O     1.19842607 +1   2.10793282 +1  -0.91219126 +1
  H    -0.35496955 +1   0.01003411 +1  -1.19494598 +1
  H    -0.52527358 +1   0.63665741 +1   0.48112909 +1
  H    -0.20176639 +1  -1.12268702 +1   0.20880528 +1
  H     3.80931523 +1   0.70730160 +1  -1.27996740 +1
  H     3.70104504 +1   0.53014436 +1   0.47322975 +1
  H     3.52743388 +1   3.26625149 +1  -0.98341567 +1
  H     2.49225336 +1   3.22571924 +1   1.29825951 +1
  H     3.97304178 +1   2.55195306 +1   1.99780665 +1
  H     3.97394785 +1   4.18154479 +1   1.31392870 +1
  H     5.94792937 +1   1.89278933 +1   0.38362625 +1
  H     5.77049702 +1   2.20636593 +1  -1.34964620 +1
  H     5.92407525 +1   3.55124060 +1  -0.21781066 +1