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triethyl phosphate
triethyl phosphate ID: AN-23949
CAS:78-40-0
Supplier:AN PharmaTech Co Ltd

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SMILES:P(=O)(OCC)(OCC)OCC	6535
FORMULA: C6H15O4P
MASS: 182.1547
EXACT MASS: 182.0707956
INTERATOMIC DISTANCES

              P   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   P   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    1.7320     1.5059     2.3941     1.0000     2.6457     0.0000 
   C   7    1.7321     2.6458     1.0000     1.5060     2.3942     2.4495 
   C   8    1.7320     1.0000     2.6458     2.3941     1.5059     2.4494 
   C   9    2.6458     1.7321     3.6056     3.1196     2.5036     2.8754 
   C  10    2.6458     3.6055     1.7320     2.5036     3.1196     3.4252 
   C  11    2.6457     2.5035     3.1196     1.7320     3.6055     1.0000 
   H  12    1.4156     1.0813     2.1997     2.2716     0.9207     2.5786 
   H  13    2.1829     1.5968     2.9968     2.9527     1.6768     3.0676 
   H  14    1.4155     2.1996     1.0812     0.9207     2.2715     1.8326 
   H  15    2.1829     2.9967     1.5967     1.6768     2.9526     2.4738 
   H  16    1.4155     0.9207     2.2716     1.0812     2.1996     0.6199 
   H  17    2.1829     1.6768     2.9527     1.5968     2.9967     0.6200 
   H  18    2.9083     2.1115     3.8025     3.5257     2.5468     3.4039 
   H  19    3.2380     2.2901     4.2101     3.6354     3.1229     3.2678 
   H  20    2.5121     1.5201     3.5087     2.7933     2.6112     2.3914 
   H  21    2.9083     3.8024     2.1114     2.5468     3.5257     3.3661 
   H  22    3.2380     4.2100     2.2900     3.1229     3.6354     4.0361 
   H  23    2.5121     3.5087     1.5200     2.6113     2.7933     3.5920 
   H  24    2.9082     2.5467     3.5256     2.1114     3.8023     1.1766 
   H  25    3.2380     3.1229     3.6354     2.2901     4.2100     1.6200 
   H  26    2.5120     2.6112     2.7932     1.5200     3.5086     1.1766 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.4641     0.0000 
   C   9    4.3590     1.0001     0.0000 
   C  10    1.0000     4.3589     5.2915     0.0000 
   C  11    2.8754     3.4251     3.7416     3.7416     0.0000 
   H  12    3.1022     0.6200     1.5968     3.9317     3.5784     0.0000 
   H  13    3.8918     0.6201     1.0813     4.7288     4.0452     0.7971 
   H  14    0.6200     3.1021     3.9317     1.5968     2.2808     2.8311 
   H  15    0.6199     3.8917     4.7288     1.0812     2.6770     3.5920 
   H  16    2.5786     1.8326     2.2809     3.5784     1.5967     2.0020 
   H  17    3.0676     2.4738     2.6771     4.0452     1.0812     2.7434 
   H  18    4.6403     1.1767     0.6201     5.5256     4.3079     1.6344 
   H  19    4.9340     1.6200     0.6200     5.8809     4.0509     2.2128 
   H  20    4.1518     1.1766     0.6200     5.1222     3.1954     1.7880 
   H  21    1.1766     4.6402     5.5256     0.6200     3.5154     4.2724 
   H  22    1.6199     4.9339     5.8809     0.6200     4.3079     4.4810 
   H  23    1.1766     4.1517     5.1222     0.6201     4.0510     3.6649 
   H  24    3.4038     3.3660     3.5154     4.3079     0.6200     3.6230 
   H  25    3.2678     4.0361     4.3079     4.0510     0.6201     4.1984 
   H  26    2.3913     3.5920     4.0510     3.1953     0.6201     3.6405 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.5920     0.0000 
   H  15    4.3658     0.7971     0.0000 
   H  16    2.4519     2.0019     2.7433     0.0000 
   H  17    3.0871     2.4519     3.0871     0.7971     0.0000 
   H  18    0.8924     4.2724     5.0646     2.7926     3.2587     0.0000 
   H  19    1.6310     4.4810     5.2763     2.7111     2.9699     0.8769 
   H  20    1.5201     3.6649     4.4543     1.8373     2.1175     1.2400 
   H  21    5.0646     1.6344     0.8924     3.6230     3.9785     5.8167 
   H  22    5.2762     2.2128     1.6309     4.1983     4.6560     6.0923 
   H  23    4.4543     1.7880     1.5201     3.6405     4.2033     5.2915 
   H  24    3.9785     2.7925     3.2585     1.6343     0.8923     4.1130 
   H  25    4.6561     2.7111     2.9699     2.2128     1.6309     4.8873 
   H  26    4.2033     1.8372     2.1174     1.7880     1.5201     4.5792 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    6.0924     5.2915     0.0000 
   H  22    6.4759     5.7290     0.8768     0.0000 
   H  23    5.7290     5.0242     1.2400     0.8768     0.0000 
   H  24    3.7416     2.9273     4.1129     4.8872     4.5792     0.0000 
   H  25    4.5792     3.7417     3.7417     4.5792     4.4261     0.8768 
   H  26    4.4261     3.5527     2.9272     3.7416     3.5526     1.2400 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    0.8769     0.0000 



ATOMIC CHARGES
   P   1    0.4774479890
   O   2   -0.2868087533
   O   3   -0.2868087533
   O   4   -0.2868087533
   O   5   -0.2271268876
   C   6    0.0562705001
   C   7    0.0562705001
   C   8    0.0562705001
   C   9   -0.0410013801
   C  10   -0.0410013801
   C  11   -0.0410013801
   H  12    0.0562717750
   H  13    0.0562717750
   H  14    0.0562717750
   H  15    0.0562717750
   H  16    0.0562717750
   H  17    0.0562717750
   H  18    0.0251852387
   H  19    0.0251852387
   H  20    0.0251852387
   H  21    0.0251852387
   H  22    0.0251852387
   H  23    0.0251852387
   H  24    0.0251852387
   H  25    0.0251852387
   H  26    0.0251852387


BOND ANGLES
   2    1    3   O3    P   O3    179.974
   2    1    4   O3    P   O3     90.000
   2    1    5   O3    P   O2     90.000
   3    1    4   O3    P   O3     89.997
   3    1    5   O3    P   O2     90.003
   4    1    5   O3    P   O2    179.974
   1    2    8    P   O3   C3    119.999
   1    3    7    P   O3   C3    120.001
   1    4    6    P   O3   C3    119.999
   4    6   11   O3   C3   C3    119.999
   4    6   16   O3   C3   HC     80.000
   4    6   17   O3   C3   HC    160.009
  11    6   16   C3   C3   HC    160.002
  11    6   17   C3   C3   HC     79.993
  16    6   17   HC   C3   HC     80.009
   3    7   10   O3   C3   C3    119.999
   3    7   14   O3   C3   HC     79.993
   3    7   15   O3   C3   HC    160.002
  10    7   14   C3   C3   HC    160.009
  10    7   15   C3   C3   HC     80.000
  14    7   15   HC   C3   HC     80.009
   2    8    9   O3   C3   C3    120.001
   2    8   12   O3   C3   HC     80.006
   2    8   13   O3   C3   HC    160.003
   9    8   12   C3   C3   HC    159.993
   9    8   13   C3   C3   HC     79.996
  12    8   13   HC   C3   HC     79.997
   8    9   18   C3   C3   HC     89.999
   8    9   19   C3   C3   HC    179.974
   8    9   20   C3   C3   HC     89.996
  18    9   19   HC   C3   HC     90.005
  18    9   20   HC   C3   HC    179.974
  19    9   20   HC   C3   HC     90.000
   7   10   21   C3   C3   HC     90.001
   7   10   22   C3   C3   HC    179.974
   7   10   23   C3   C3   HC     90.004
  21   10   22   HC   C3   HC     90.000
  21   10   23   HC   C3   HC    179.974
  22   10   23   HC   C3   HC     89.995
   6   11   24   C3   C3   HC     90.001
   6   11   25   C3   C3   HC    179.974
   6   11   26   C3   C3   HC     90.004
  24   11   25   HC   C3   HC     89.995
  24   11   26   HC   C3   HC    179.974
  25   11   26   HC   C3   HC     90.000


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