Accuracy

1,1-dimethoxy-butane   1115 1,1-Dimethoxy-butane

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    #  Species Formula
  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-methylbutanoateC6H12O2
  1111 Methyl pentanoateC6H12O2
  1112 t-Butyl acetateC6H12O2
  1113 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1114 1,1-Diethoxy ethaneC6H14O2
  1115 1,1-Dimethoxy-butane C6H14O2
  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


ΔHf: -101.7 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
1,1-Dimethoxy-butane
 H=-101.7 HR=NIST
  C     0.02382660 +1   0.16291747 +1   0.18930394 +1
  O     1.43410223 +1   0.16974998 +1   0.13688264 +1
  C     2.04800692 +1   1.43910593 +1   0.11254384 +1
  O     2.20925092 +1   1.87237504 +1  -1.22163961 +1
  C     1.12715820 +1   2.58736068 +1  -1.77663136 +1
  C     3.48473224 +1   1.17263014 +1   0.58552518 +1
  C     3.52451240 +1   0.97229350 +1   2.10219948 +1
  C     4.95871644 +1   0.72678767 +1   2.57142357 +1
  H    -0.35393524 +1   0.77176410 +1   1.01553013 +1
  H    -0.40269790 +1   0.48518776 +1  -0.76509756 +1
  H    -0.20751423 +1  -0.89649692 +1   0.36381143 +1
  H     1.48675281 +1   2.17754576 +1   0.71458971 +1
  H     0.27964202 +1   1.92239808 +1  -1.96639546 +1
  H     0.83586199 +1   3.43099992 +1  -1.14504957 +1
  H     1.53649712 +1   2.95028482 +1  -2.72962982 +1
  H     4.13656365 +1   2.01052249 +1   0.27453242 +1
  H     3.87700296 +1   0.27497730 +1   0.06404745 +1
  H     3.10105013 +1   1.85253029 +1   2.62124709 +1
  H     2.88082582 +1   0.11346535 +1   2.38088052 +1
  H     5.38975916 +1  -0.15662487 +1   2.08579037 +1
  H     5.60762570 +1   1.57936611 +1   2.34177035 +1
  H     5.00173560 +1   0.55977148 +1   3.65319185 +1