Accuracy

acetic anhydride   1321 Acetic anhydride

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

   

    #  Species Formula
  1311 B2O3H2H2B2O3
  1312 B2O3H2 (Geo)H2B2O3
  1313 B3O3H3H3B3O3
  1314 B3O3H3 (Geo)H3B3O3
  1315 1,3,5-TrioxaneC3H6O3
  1316 Methyl hydroxyacetateC3H6O3
  1317 GlycerolC3H8O3
  1318 Trimethoxyborane (Geo)H9BC3O3
  1319 TrimethoxyboraneH9BC3O3
  1320 Maleic anhydrideC4H2O3
  1321 Acetic anhydride C4H6O3
  1322 TrimethoxymethaneC4H10O3
  1323 2,5,8-TrioxanonaneC6H14O3
  1324 TriethoxyboraneH15BC6O3
  1325 m-Salicylic acidC7H6O3
  1326 o-Salicylic acidC7H6O3
  1327 p-Salicylic acidC7H6O3
  1328 2,3-Butanediol, 2,3-dimethyl-, monoformateC7H14O3
  1329 Trimethoxymethyl benzeneC10H14O3
  1330 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1331 1-Butoxy-3-tert-butyl-2-propanolC11H24O3


ΔHf: -137.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Acetic anhydride
 H=-137.1 HR=C&P1970
  C    -0.00318129 +1   0.07523850 +1  -0.12034857 +1
  C     1.48138032 +1   0.00242932 +1  -0.03262995 +1
  O     1.98033269 +1   1.28856149 +1  -0.05044284 +1
  C     3.25202150 +1   1.60728303 +1   0.37815505 +1
  C     3.59826596 +1   2.95433059 +1  -0.15224712 +1
  H     2.79073697 +1   3.68246683 +1   0.02832506 +1
  H     3.75835690 +1   2.92344804 +1  -1.24216339 +1
  H     4.51859221 +1   3.33738827 +1   0.31690761 +1
  O     3.88134783 +1   0.89602541 +1   1.10096612 +1
  O     2.18938594 +1  -0.95785117 +1  -0.00976465 +1
  H    -0.42995172 +1  -0.89028402 +1  -0.43548981 +1
  H    -0.33386331 +1   0.84720826 +1  -0.83350664 +1
  H    -0.44206256 +1   0.33271398 +1   0.85746480 +1