Accuracy

1,1-dimethylpropyl acetate   1143 1,1-Dimethylpropyl acetate

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    #  Species Formula
  1133 Butyl 2-propenoateC7H12O2
  1134 Ethyl (Z)-2-pentenoateC7H12O2
  1135 Ethyl (Z)-3-pentenoateC7H12O2
  1136 Ethyl 4-pentenoateC7H12O2
  1137 Ethyl trans-2-pentenoateC7H12O2
  1138 HeptanolactoneC7H12O2
  1139 Isopropyl 2-butenoateC7H12O2
  1140 Propyl (E)-2-butenoateC7H12O2
  1141 (2a,4a,6b)-2,4,6-Trimethyl-1,3-dioxaneC7H14O2
  1142 1,1-DimethoxycyclopentaneC7H14O2
  1143 1,1-Dimethylpropyl acetate C7H14O2
  1144 Ethyl 2-methylbutanoateC7H14O2
  1145 Ethyl 3-methylbutanoateC7H14O2
  1146 Ethyl pentanoateC7H14O2
  1147 Methyl 3,3-dimethylbutanoateC7H14O2
  1148 Methyl hexanoateC7H14O2
  1149 1,3-DiethoxypropaneC7H16O2
  1150 1,7-HeptanediolC7H16O2
  1151 m-Methylbenzoic acidC8H8O2
  1152 Methyl benzoateC8H8O2
  1153 o-Methylbenzoic acidC8H8O2


ΔHf: -128.8 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-Dimethylpropyl acetate
 H=-128.8 HR=NIST
  C    -0.02043034 +1  -0.04215313 +1   0.11262952 +1
  C     1.50207144 +1   0.00834984 +1   0.07543576 +1
  C     2.05562760 +1   1.45114993 +1   0.10993618 +1
  C     1.67278586 +1   2.26128456 +1  -1.12288597 +1
  C     1.73524486 +1   2.17745890 +1   1.41079360 +1
  O     3.47356408 +1   1.16750347 +1   0.06545824 +1
  C     4.39520993 +1   2.14916980 +1   0.07722670 +1
  O     4.13801855 +1   3.32512351 +1   0.12300333 +1
  C     5.75963435 +1   1.53973052 +1   0.02529838 +1
  H    -0.46665507 +1   0.47375734 +1  -0.74522519 +1
  H    -0.42174088 +1   0.41619851 +1   1.02362797 +1
  H    -0.37346242 +1  -1.08060437 +1   0.08784210 +1
  H     1.88127172 +1  -0.50023951 +1  -0.83316120 +1
  H     1.92656860 +1  -0.55984025 +1   0.92679700 +1
  H     2.13390661 +1   3.26043112 +1  -1.10261249 +1
  H     2.00433847 +1   1.76953412 +1  -2.04412555 +1
  H     0.58930460 +1   2.40564512 +1  -1.18628496 +1
  H     2.19323913 +1   3.17807097 +1   1.43236373 +1
  H     2.11435836 +1   1.62825775 +1   2.27956278 +1
  H     0.65624605 +1   2.31230981 +1   1.53873224 +1
  H     5.73180336 +1   0.44108116 +1  -0.03223953 +1
  H     6.33671814 +1   1.81697618 +1   0.92097113 +1
  H     6.31195262 +1   1.91131539 +1  -0.85163403 +1