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tetraethyl silicate
tetraethyl silicate ID: AN-23935
CAS:78-10-4
Supplier:AN PharmaTech Co Ltd

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SMILES:[Si](OCC)(OCC)(OCC)OCC	6517
FORMULA: C8H20O4Si
MASS: 208.3275
EXACT MASS: 208.1130857
INTERATOMIC DISTANCES

             Si   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
  Si   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    1.0001     2.0000     0.0000 
   O   4    1.0000     1.4142     1.4142     0.0000 
   O   5    1.0000     1.4142     1.4143     2.0000     0.0000 
   C   6    1.7321     2.6458     1.0000     1.5060     2.3942     0.0000 
   C   7    1.7320     1.0000     2.6458     2.3941     1.5059     3.4641 
   C   8    1.7320     2.3941     1.5060     2.6457     1.0000     2.4495 
   C   9    1.7320     1.5059     2.3941     1.0000     2.6457     2.4495 
   C  10    2.6458     2.5036     3.1197     1.7321     3.6055     2.8754 
   C  11    2.6458     3.1196     2.5036     3.6055     1.7321     3.4253 
   C  12    2.6458     1.7321     3.6056     3.1196     2.5036     4.3590 
   C  13    2.6458     3.6055     1.7320     2.5036     3.1196     1.0000 
   H  14    1.4155     2.1996     1.0812     0.9207     2.2715     0.6200 
   H  15    2.1829     2.9967     1.5967     1.6768     2.9526     0.6199 
   H  16    1.4155     1.0812     2.1997     2.2715     0.9207     3.1022 
   H  17    2.1829     1.5968     2.9968     2.9526     1.6768     3.8918 
   H  18    1.4156     2.2716     0.9207     2.1996     1.0813     1.8326 
   H  19    2.1829     2.9527     1.6768     2.9967     1.5968     2.4738 
   H  20    1.4155     0.9207     2.2716     1.0812     2.1996     2.5786 
   H  21    2.1829     1.6768     2.9527     1.5968     2.9967     3.0676 
   H  22    2.9083     2.5468     3.5257     2.1115     3.8024     3.4039 
   H  23    3.2380     3.1229     3.6354     2.2901     4.2100     3.2678 
   H  24    2.5121     2.6113     2.7933     1.5201     3.5087     2.3914 
   H  25    2.9083     3.5257     2.5468     3.8024     2.1115     3.3661 
   H  26    3.2380     3.6354     3.1229     4.2100     2.2901     4.0361 
   H  27    2.5121     2.7933     2.6113     3.5086     1.5201     3.5920 
   H  28    2.9083     2.1115     3.8025     3.5257     2.5468     4.6403 
   H  29    3.2380     2.2901     4.2101     3.6354     3.1229     4.9340 
   H  30    2.5121     1.5201     3.5087     2.7933     2.6112     4.1518 
   H  31    2.9083     3.8024     2.1114     2.5468     3.5257     1.1766 
   H  32    3.2380     4.2100     2.2900     3.1229     3.6354     1.6199 
   H  33    2.5121     3.5086     1.5200     2.6112     2.7933     1.1766 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.4494     0.0000 
   C   9    2.4494     3.4640     0.0000 
   C  10    3.4252     4.3589     1.0001     0.0000 
   C  11    2.8754     1.0001     4.3589     5.2915     0.0000 
   C  12    1.0001     3.4252     2.8754     3.7417     3.7417     0.0000 
   C  13    4.3589     2.8754     3.4252     3.7417     3.7417     5.2915 
   H  14    3.1021     2.5785     1.8326     2.2809     3.5784     3.9317 
   H  15    3.8917     3.0676     2.4738     2.6771     4.0452     4.7288 
   H  16    0.6199     1.8326     2.5785     3.5784     2.2809     1.5968 
   H  17    0.6200     2.4738     3.0676     4.0452     2.6771     1.0812 
   H  18    2.5786     0.6200     3.1021     3.9317     1.5968     3.5785 
   H  19    3.0676     0.6201     3.8917     4.7288     1.0813     4.0452 
   H  20    1.8326     3.1021     0.6199     1.5968     3.9317     2.2809 
   H  21    2.4738     3.8917     0.6200     1.0812     4.7288     2.6771 
   H  22    3.3661     4.6402     1.1767     0.6200     5.5256     3.5155 
   H  23    4.0361     4.9339     1.6200     0.6200     5.8809     4.3079 
   H  24    3.5920     4.1517     1.1767     0.6201     5.1222     4.0511 
   H  25    3.4039     1.1767     4.6402     5.5256     0.6201     4.3080 
   H  26    3.2678     1.6200     4.9339     5.8809     0.6200     4.0510 
   H  27    2.3914     1.1766     4.1517     5.1222     0.6200     3.1954 
   H  28    1.1767     3.3661     3.4038     4.3079     3.5155     0.6200 
   H  29    1.6200     4.0361     3.2678     4.0510     4.3079     0.6200 
   H  30    1.1766     3.5920     2.3914     3.1954     4.0510     0.6200 
   H  31    4.6402     3.4038     3.3661     3.5155     4.3079     5.5256 
   H  32    4.9339     3.2678     4.0361     4.3079     4.0510     5.8809 
   H  33    4.1517     2.3914     3.5920     4.0510     3.1954     5.1222 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    1.5968     0.0000 
   H  15    1.0812     0.7971     0.0000 
   H  16    3.9317     2.8311     3.5920     0.0000 
   H  17    4.7288     3.5920     4.3658     0.7971     0.0000 
   H  18    2.2808     2.0018     2.4518     2.0020     2.7434     0.0000 
   H  19    2.6770     2.7433     3.0870     2.4519     3.0871     0.7971 
   H  20    3.5784     2.0019     2.7433     2.0019     2.4519     2.8311 
   H  21    4.0452     2.4519     3.0871     2.7433     3.0871     3.5920 
   H  22    4.3079     2.7926     3.2586     3.6230     3.9785     4.2724 
   H  23    4.0510     2.7111     2.9699     4.1983     4.6560     4.4810 
   H  24    3.1954     1.8373     2.1175     3.6405     4.2033     3.6649 
   H  25    3.5154     3.6229     3.9784     2.7926     3.2587     1.6344 
   H  26    4.3079     4.1983     4.6560     2.7111     2.9699     2.2128 
   H  27    4.0510     3.6405     4.2032     1.8373     2.1175     1.7880 
   H  28    5.5256     4.2724     5.0646     1.6344     0.8924     3.6231 
   H  29    5.8809     4.4810     5.2763     2.2128     1.6309     4.1984 
   H  30    5.1222     3.6649     4.4543     1.7880     1.5200     3.6405 
   H  31    0.6200     1.6344     0.8924     4.2724     5.0646     2.7925 
   H  32    0.6200     2.2128     1.6309     4.4810     5.2763     2.7110 
   H  33    0.6200     1.7880     1.5200     3.6649     4.4543     1.8372 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.5920     0.0000 
   H  21    4.3658     0.7971     0.0000 
   H  22    5.0646     1.6344     0.8924     0.0000 
   H  23    5.2762     2.2128     1.6309     0.8768     0.0000 
   H  24    4.4543     1.7880     1.5201     1.2400     0.8768     0.0000 
   H  25    0.8924     4.2724     5.0646     5.8167     6.0923     5.2915 
   H  26    1.6310     4.4810     5.2763     6.0924     6.4759     5.7290 
   H  27    1.5201     3.6649     4.4543     5.2915     5.7290     5.0242 
   H  28    3.9786     2.7926     3.2586     4.1130     4.8873     4.5792 
   H  29    4.6561     2.7111     2.9699     3.7417     4.5792     4.4261 
   H  30    4.2033     1.8373     2.1175     2.9273     3.7417     3.5527 
   H  31    3.2585     3.6230     3.9785     4.1130     3.7417     2.9273 
   H  32    2.9698     4.1983     4.6560     4.8873     4.5792     3.7416 
   H  33    2.1174     3.6405     4.2032     4.5792     4.4260     3.5526 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.8769     0.0000 
   H  27    1.2400     0.8768     0.0000 
   H  28    4.1131     3.7417     2.9273     0.0000 
   H  29    4.8873     4.5792     3.7417     0.8768     0.0000 
   H  30    4.5792     4.4260     3.5526     1.2399     0.8768     0.0000 
   H  31    4.1129     4.8873     4.5792     5.8167     6.0924     5.2915 
   H  32    3.7416     4.5792     4.4260     6.0924     6.4759     5.7290 
   H  33    2.9273     3.7417     3.5526     5.2915     5.7290     5.0242 

              H  31      H  32      H  33
              ---------------------------------
   H  31    0.0000 
   H  32    0.8768     0.0000 
   H  33    1.2399     0.8768     0.0000 



ATOMIC CHARGES
  Si   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   O   4    0.0000000000
   O   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000
   H  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000
   H  24    0.0000000000
   H  25    0.0000000000
   H  26    0.0000000000
   H  27    0.0000000000
   H  28    0.0000000000
   H  29    0.0000000000
   H  30    0.0000000000
   H  31    0.0000000000
   H  32    0.0000000000
   H  33    0.0000000000


BOND ANGLES
   2    1    3   O3   Si   O3    179.974
   2    1    4   O3   Si   O3     90.000
   2    1    5   O3   Si   O3     90.000
   3    1    4   O3   Si   O3     89.997
   3    1    5   O3   Si   O3     90.003
   4    1    5   O3   Si   O3    179.974
   1    2    7   Si   O3   C3    119.999
   1    3    6   Si   O3   C3    120.001
   1    4    9   Si   O3   C3    119.999
   1    5    8   Si   O3   C3    119.999
   3    6   13   O3   C3   C3    119.999
   3    6   14   O3   C3   HC     79.993
   3    6   15   O3   C3   HC    160.002
  13    6   14   C3   C3   HC    160.009
  13    6   15   C3   C3   HC     80.000
  14    6   15   HC   C3   HC     80.009
   2    7   12   O3   C3   C3    120.001
   2    7   16   O3   C3   HC     80.000
   2    7   17   O3   C3   HC    160.009
  12    7   16   C3   C3   HC    159.999
  12    7   17   C3   C3   HC     79.990
  16    7   17   HC   C3   HC     80.009
   5    8   11   O3   C3   C3    120.001
   5    8   18   O3   C3   HC     80.006
   5    8   19   O3   C3   HC    160.003
  11    8   18   C3   C3   HC    159.993
  11    8   19   C3   C3   HC     79.996
  18    8   19   HC   C3   HC     79.997
   4    9   10   O3   C3   C3    120.001
   4    9   20   O3   C3   HC     80.000
   4    9   21   O3   C3   HC    160.009
  10    9   20   C3   C3   HC    159.999
  10    9   21   C3   C3   HC     79.990
  20    9   21   HC   C3   HC     80.009
   9   10   22   C3   C3   HC     90.004
   9   10   23   C3   C3   HC    179.974
   9   10   24   C3   C3   HC     90.001
  22   10   23   HC   C3   HC     90.000
  22   10   24   HC   C3   HC    179.974
  23   10   24   HC   C3   HC     89.995
   8   11   25   C3   C3   HC     89.999
   8   11   26   C3   C3   HC    179.974
   8   11   27   C3   C3   HC     89.996
  25   11   26   HC   C3   HC     90.005
  25   11   27   HC   C3   HC    179.974
  26   11   27   HC   C3   HC     90.000
   7   12   28   C3   C3   HC     90.004
   7   12   29   C3   C3   HC    179.974
   7   12   30   C3   C3   HC     89.996
  28   12   29   HC   C3   HC     90.000
  28   12   30   HC   C3   HC    179.974
  29   12   30   HC   C3   HC     90.000
   6   13   31   C3   C3   HC     90.001
   6   13   32   C3   C3   HC    179.974
   6   13   33   C3   C3   HC     89.999
  31   13   32   HC   C3   HC     90.000
  31   13   33   HC   C3   HC    179.974
  32   13   33   HC   C3   HC     90.000


TORSION ANGLES
   3    1    2    7    179.974
   4    1    2    7    179.974
   5    1    2    7      0.026
   2    1    3    6      0.026
   4    1    3    6      0.026
   5    1    3    6    179.974
   2    1    4    9      0.026
   3    1    4    9    179.974
   5    1    4    9    180.000
   2    1    5    8    179.974
   3    1    5    8      0.026
   4    1    5    8    180.000
   1    2    7   12    179.974
   1    2    7   16      0.026
   1    2    7   17      0.026
   1    3    6   13    179.974
   1    3    6   14      0.026
   1    3    6   15      0.026
   1    4    9   10    179.974
   1    4    9   20      0.026
   1    4    9   21      0.026
   1    5    8   11    179.974
   1    5    8   18      0.026
   1    5    8   19      0.026
   3    6   13   31    179.974
   3    6   13   32      0.026
   3    6   13   33      0.026
  14    6   13   31      0.026
  14    6   13   32    179.974
  14    6   13   33    179.974
  15    6   13   31      0.026
  15    6   13   32    179.974
  15    6   13   33    179.974
   2    7   12   28    179.974
   2    7   12   29      0.026
   2    7   12   30      0.026
  16    7   12   28      0.026
  16    7   12   29    179.974
  16    7   12   30    179.974
  17    7   12   28      0.026
  17    7   12   29    179.974
  17    7   12   30    179.974
   5    8   11   25    179.974
   5    8   11   26      0.026
   5    8   11   27      0.026
  18    8   11   25      0.026
  18    8   11   26    179.974
  18    8   11   27    179.974
  19    8   11   25      0.026
  19    8   11   26    179.974
  19    8   11   27    179.974
   4    9   10   22    179.974
   4    9   10   23      0.026
   4    9   10   24      0.026
  20    9   10   22      0.026
  20    9   10   23    179.974
  20    9   10   24    179.974
  21    9   10   22      0.026
  21    9   10   23    179.974
  21    9   10   24    179.974