Accuracy

trimethoxymethyl benzene   1329 Trimethoxymethyl benzene

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

    

    #  Species Formula
  1319 TrimethoxyboraneH9BC3O3
  1320 Maleic anhydrideC4H2O3
  1321 Acetic anhydrideC4H6O3
  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 benzene C10H14O3
  1330 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1331 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1332 Benzoic acid, anhydrideC14H10O3
  1333 Nitrate radicalNO3
  1334 Nitrate anionNO3
  1335 Nitric acid (Geo)HNO3
  1336 Nitric acidHNO3
  1337 Methyl nitrateCH3NO3
  1338 Oxamic acidC2H3NO3
  1339 Ethyl nitrateC2H5NO3


ΔHf: -103.6 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
Trimethoxymethyl benzene
 H=-103.6 HR=NIST
  C    -0.07186183 +1   0.00101672 +1  -0.02887116 +1
  C     1.32030372 +1   0.04276460 +1  -0.02221116 +1
  C     1.97915644 +1   1.24291350 +1   0.24289484 +1
  C     1.24917119 +1   2.40235244 +1   0.49950589 +1
  C    -0.14434032 +1   2.36620535 +1   0.49578365 +1
  C    -0.79562832 +1   1.16409608 +1   0.23319670 +1
  C    -2.30285559 +1   1.07898230 +1   0.24120679 +1
  O    -2.66040787 +1   0.07749167 +1   1.15946413 +1
  O    -2.71181613 +1   0.72807314 +1  -1.05582616 +1
  O    -2.85839898 +1   2.30852097 +1   0.63041564 +1
  C    -3.75158370 +1   2.92429671 +1  -0.27708562 +1
  C    -3.65578330 +1  -0.32003654 +1  -1.16426642 +1
  C    -3.63027887 +1   0.41594792 +1   2.13210001 +1
  H    -0.59940770 +1  -0.92999405 +1  -0.23377657 +1
  H     1.89024717 +1  -0.86137706 +1  -0.22283974 +1
  H     3.06676890 +1   1.27388012 +1   0.24927780 +1
  H     1.76488496 +1   3.33774436 +1   0.70476096 +1
  H    -0.72106073 +1   3.26937964 +1   0.69922380 +1
  H    -3.28793179 +1   3.05194132 +1  -1.26186715 +1
  H    -4.67630064 +1   2.34726668 +1  -0.36046153 +1
  H    -3.93351271 +1   3.89728552 +1   0.19711218 +1
  H    -3.25859655 +1  -1.24303281 +1  -0.72585767 +1
  H    -4.60219122 +1  -0.04479092 +1  -0.69296355 +1
  H    -3.76894624 +1  -0.42657631 +1  -2.25072798 +1
  H    -4.57343308 +1   0.71269411 +1   1.66645383 +1
  H    -3.25488758 +1   1.21519537 +1   2.78144575 +1
  H    -3.73744628 +1  -0.52257521 +1   2.69102007 +1