Accuracy

2-methyl-2-phenyl-1,3-dioxolane   1177 2-Methyl-2-phenyl-1,3-dioxolane

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

    

    #  Species Formula
  1167 1,3-NaphthalenediolC10H8O2
  1168 1,4-NaphthalenediolC10H8O2
  1169 2,3-NaphthalenediolC10H8O2
  1170 1-Phenyl-1,3-butanedioneC10H10O2
  1171 2,3,4-Trimethylbenzoic acidC10H12O2
  1172 2,3,5-Trimethylbenzoic acidC10H12O2
  1173 2,3,6-Trimethylbenzoic acidC10H12O2
  1174 2,4,5-Trimethylbenzoic acidC10H12O2
  1175 2,4,6-Trimethylbenzoic acidC10H12O2
  1176 2-Isopropyl benzoic acidC10H12O2
  1177 2-Methyl-2-phenyl-1,3-dioxolane C10H12O2
  1178 3,4,5-Trimethylbenzoic acidC10H12O2
  1179 3-Isopropyl benzoic acidC10H12O2
  1180 4-Isopropyl benzoic acidC10H12O2
  1181 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  1182 Cyclohexyl butanoateC10H18O2
  1183 Ethyl octanoateC10H20O2
  1184 1,10-DecanediolC10H22O2
  1185 1-Naphthoic acidC11H8O2
  1186 Isonaphthoic acidC11H8O2
  1187 2,3,4,5-Tetramethylbenzoic acidC11H14O2


ΔHf: -62.6 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
2-Methyl-2-phenyl-1,3-dioxolane
 H=-62.60 HR=NIST
  C    -0.00111782 +1   0.02484409 +1  -0.01073695 +1
  C     1.31622660 +1   0.49561143 +1   0.62552299 +1
  O     1.43335963 +1   1.86973467 +1   0.27653108 +1
  C     0.48169222 +1   2.16674201 +1  -0.73811504 +1
  O    -0.52799281 +1   1.16670180 +1  -0.67517889 +1
  C    -0.16029198 +1   3.50334849 +1  -0.40596498 +1
  C     1.15046855 +1   2.13926699 +1  -2.09045857 +1
  C     0.43252333 +1   1.72266839 +1  -3.20976259 +1
  C     1.04530156 +1   1.71961177 +1  -4.46090530 +1
  C     2.37086475 +1   2.13184330 +1  -4.58890850 +1
  C     3.08694627 +1   2.54430878 +1  -3.46596691 +1
  C     2.47745078 +1   2.54774684 +1  -2.21315902 +1
  H     0.13264954 +1  -0.76374669 +1  -0.76821892 +1
  H    -0.77348878 +1  -0.26940842 +1   0.71659688 +1
  H     1.31787773 +1   0.47527557 +1   1.72619931 +1
  H     2.20475985 +1  -0.02144311 +1   0.23041099 +1
  H    -0.92959012 +1   3.76254250 +1  -1.14381417 +1
  H     0.58913724 +1   4.30444066 +1  -0.38813775 +1
  H    -0.63998266 +1   3.46894387 +1   0.58195094 +1
  H    -0.60255306 +1   1.39674380 +1  -3.10087486 +1
  H     0.48788698 +1   1.39592728 +1  -5.33686421 +1
  H     2.84740790 +1   2.13200461 +1  -5.56703471 +1
  H     4.12173048 +1   2.86426633 +1  -3.56667449 +1
  H     3.03374427 +1   2.86195531 +1  -1.32940997 +1