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Dipropyl succinate
Dipropyl succinate ID: API-42819
CAS:925-15-5
Supplier:APIchem

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SMILES:O(CCC)C(=O)CCC(=O)OCCC	ChemMol.com
FORMULA: C10H18O4
MASS: 202.2475
EXACT MASS: 202.1205091
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    4.3589     0.0000 
   O   3    1.7320     3.6055     0.0000 
   O   4    3.6055     1.7320     3.6056     0.0000 
   C   5    2.6458     1.7320     2.0000     1.7320     0.0000 
   C   6    1.7320     2.6458     1.7320     2.0000     1.0001     0.0000 
   C   7    5.1962     1.0001     4.5826     2.0000     2.6458     3.4642 
   C   8    1.0000     5.1961     2.0000     4.5826     3.4641     2.6457 
   C   9    6.0828     1.7321     5.2915     3.0000     3.4641     4.3590 
   C  10    1.7321     6.0828     3.0000     5.2915     4.3590     3.4641 
   C  11    3.4641     1.0000     3.0000     1.0000     1.0000     1.7321 
   C  12    1.0000     3.4641     1.0000     3.0000     1.7321     1.0000 
   C  13    2.6458     6.9282     3.6055     6.2450     5.1962     4.3589 
   C  14    6.9282     2.6458     6.2450     3.6055     4.3589     5.1962 
   H  15    2.4059     2.1829     1.4332     2.3451     0.6200     1.0812 
   H  16    3.1512     1.4155     2.1944     2.0295     0.6199     1.5968 
   H  17    2.1829     2.4059     2.3451     1.4332     1.0812     0.6200 
   H  18    1.4155     3.1512     2.0295     2.1944     1.5968     0.6199 
   H  19    5.7469     1.4155     4.8263     2.9560     3.1021     4.0507 
   H  20    6.5338     2.1829     5.6193     3.5888     3.8917     4.8282 
   H  21    1.4155     5.7469     2.9560     4.8263     4.0507     3.1021 
   H  22    2.1829     6.5338     3.5888     5.6193     4.8282     3.8917 
   H  23    1.5968     5.6148     2.1944     5.1245     3.8918     3.1512 
   H  24    1.0812     4.8210     1.4332     4.3997     3.1022     2.4059 
   H  25    5.6148     1.5968     5.1245     2.1944     3.1512     3.8918 
   H  26    4.8210     1.0812     4.3997     1.4332     2.4059     3.1022 
   H  27    2.9083     7.2581     4.0750     6.4446     5.5323     4.6402 
   H  28    3.2380     7.4715     4.0601     6.8428     5.7415     4.9339 
   H  29    2.5121     6.6399     3.1879     6.1022     4.9156     4.1517 
   H  30    7.2581     2.9083     6.4446     4.0750     4.6402     5.5323 
   H  31    7.4715     3.2380     6.8428     4.0601     4.9339     5.7415 
   H  32    6.6399     2.5121     6.1022     3.1879     4.1517     4.9156 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    6.0828     0.0000 
   C   9    1.0000     6.9282     0.0000 
   C  10    6.9283     1.0001     7.8103     0.0000 
   C  11    1.7321     4.3589     2.6458     5.1962     0.0000 
   C  12    4.3590     1.7320     5.1962     2.6458     2.6458     0.0000 
   C  13    7.8103     1.7321     8.6603     1.0000     6.0828     3.4641 
   C  14    1.7320     7.8102     1.0000     8.6603     3.4641     6.0828 
   H  15    3.1513     3.1021     3.8918     4.0507     1.5968     1.4155 
   H  16    2.4060     3.8917     3.1022     4.8282     1.0812     2.1829 
   H  17    3.1022     3.1512     4.0507     3.8918     1.4155     1.5968 
   H  18    3.8918     2.4059     4.8282     3.1022     2.1829     1.0812 
   H  19    1.0812     6.5468     0.6200     7.4597     2.4059     4.8210 
   H  20    1.5967     7.3421     0.6199     8.2506     3.1512     5.6148 
   H  21    6.5469     1.0812     7.4597     0.6200     4.8210     2.4059 
   H  22    7.3422     1.5968     8.2506     0.6199     5.6148     3.1512 
   H  23    6.5339     0.6200     7.3422     1.0812     4.8282     2.1829 
   H  24    5.7470     0.6199     6.5469     1.5968     4.0507     1.4155 
   H  25    0.6199     6.5338     1.0812     7.3422     2.1829     4.8282 
   H  26    0.6200     5.7469     1.5968     6.5469     1.4155     4.0507 
   H  27    8.1044     2.1115     8.9864     1.1766     6.3723     3.8121 
   H  28    8.3705     2.2901     9.2024     1.6199     6.6486     4.0130 
   H  29    7.5558     1.5201     8.3675     1.1766     5.8449     3.1995 
   H  30    2.1114     8.1043     1.1766     8.9864     3.8121     6.3723 
   H  31    2.2900     8.3704     1.6199     9.2024     4.0130     6.6486 
   H  32    1.5200     7.5557     1.1766     8.3675     3.1995     5.8449 

              C  13      C  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    9.5394     0.0000 
   H  15    4.8210     4.8282     0.0000 
   H  16    5.6148     4.0507     0.7971     0.0000 
   H  17    4.8282     4.8210     1.4514     1.6887     0.0000 
   H  18    4.0507     5.6148     1.6887     2.2063     0.7971     0.0000 
   H  19    8.2753     1.5968     3.4641     2.6670     3.8189     4.5664 
   H  20    9.0712     1.0812     4.2612     3.4641     4.5664     5.3282 
   H  21    1.5968     8.2753     3.8189     4.5664     3.4641     2.6670 
   H  22    1.0812     9.0712     4.5664     5.3282     4.2612     3.4641 
   H  23    1.4155     8.2506     3.4641     4.2612     3.6918     2.9752 
   H  24    2.1829     7.4597     2.6670     3.4641     2.9752     2.3120 
   H  25    8.2506     1.4155     3.6918     2.9752     3.4641     4.2612 
   H  26    7.4597     2.1829     2.9752     2.3120     2.6670     3.4641 
   H  27    0.6200     9.8364     5.2069     5.9908     5.0577     4.2642 
   H  28    0.6200    10.0957     5.3370     6.1338     5.4201     4.6496 
   H  29    0.6200     9.2744     4.4880     5.2851     4.6702     3.9245 
   H  30    9.8364     0.6200     5.0577     4.2642     5.2069     5.9908 
   H  31   10.0957     0.6200     5.4201     4.6496     5.3370     6.1338 
   H  32    9.2744     0.6200     4.6702     3.9245     4.4880     5.2851 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    7.1457     7.9279     0.0000 
   H  22    7.9279     8.7128     0.7971     0.0000 
   H  23    6.9282     7.7253     1.4514     1.6887     0.0000 
   H  24    6.1311     6.9282     1.6887     2.2063     0.7971     0.0000 
   H  25    1.4514     1.6887     6.9282     7.7253     7.0108     6.2332 
   H  26    1.6887     2.2063     6.1311     6.9282     6.2332     5.4611 
   H  27    8.6312     9.4233     1.6344     0.8924     1.9300     2.6420 
   H  28    8.8001     9.5971     2.2128     1.6309     1.8777     2.6726 
   H  29    7.9519     8.7490     1.7880     1.5200     1.0254     1.8217 
   H  30    1.6344     0.8924     8.6312     9.4233     8.5141     7.7181 
   H  31    2.2128     1.6309     8.8001     9.5971     8.8238     8.0360 
   H  32    1.7880     1.5200     7.9519     8.7490     8.0265     7.2452 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7971     0.0000 
   H  27    8.5141     7.7181     0.0000 
   H  28    8.8238     8.0360     0.8768     0.0000 
   H  29    8.0265     7.2452     1.2399     0.8768     0.0000 
   H  30    1.9300     2.6420    10.1625    10.3768     9.5394     0.0000 
   H  31    1.8777     2.6726    10.3768    10.6591     9.8458     0.8768 
   H  32    1.0254     1.8217     9.5394     9.8458     9.0443     1.2399 

              H  31      H  32
              ----------------------
   H  31    0.0000 
   H  32    0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4646305530
   O   2   -0.4646305530
   O   3   -0.2508391218
   O   4   -0.2508391218
   C   5    0.0549626009
   C   6    0.0549626009
   C   7    0.0922049732
   C   8    0.0922049732
   C   9   -0.0213780915
   C  10   -0.0213780915
   C  11    0.3076017506
   C  12    0.3076017506
   C  13   -0.0621966573
   C  14   -0.0621966573
   H  15    0.0382754880
   H  16    0.0382754880
   H  17    0.0382754880
   H  18    0.0382754880
   H  19    0.0295234262
   H  20    0.0295234262
   H  21    0.0295234262
   H  22    0.0295234262
   H  23    0.0697161769
   H  24    0.0697161769
   H  25    0.0697161769
   H  26    0.0697161769
   H  27    0.0230816389
   H  28    0.0230816389
   H  29    0.0230816389
   H  30    0.0230816389
   H  31    0.0230816389
   H  32    0.0230816389


BOND ANGLES
   8    1   12   C3   O3   C2    119.999
   7    2   11   C3   O3   C2    120.001
   6    5   11   C3   C3   C2    120.001
   6    5   15   C3   C3   HC     79.990
   6    5   16   C3   C3   HC    159.999
  11    5   15   C2   C3   HC    160.009
  11    5   16   C2   C3   HC     80.000
  15    5   16   HC   C3   HC     80.009
   5    6   12   C3   C3   C2    120.001
   5    6   17   C3   C3   HC     79.990
   5    6   18   C3   C3   HC    159.999
  12    6   17   C2   C3   HC    160.009
  12    6   18   C2   C3   HC     80.000
  17    6   18   HC   C3   HC     80.009
   2    7    9   O3   C3   C3    120.001
   2    7   25   O3   C3   HC    159.999
   2    7   26   O3   C3   HC     79.990
   9    7   25   C3   C3   HC     80.000
   9    7   26   C3   C3   HC    160.009
  25    7   26   HC   C3   HC     80.009
   1    8   10   O3   C3   C3    120.001
   1    8   23   O3   C3   HC    160.009
   1    8   24   O3   C3   HC     80.000
  10    8   23   C3   C3   HC     79.990
  10    8   24   C3   C3   HC    159.999
  23    8   24   HC   C3   HC     80.009
   7    9   14   C3   C3   C3    119.999
   7    9   19   C3   C3   HC     79.993
   7    9   20   C3   C3   HC    160.002
  14    9   19   C3   C3   HC    160.009
  14    9   20   C3   C3   HC     80.000
  19    9   20   HC   C3   HC     80.009
   8   10   13   C3   C3   C3    120.001
   8   10   21   C3   C3   HC     79.990
   8   10   22   C3   C3   HC    159.999
  13   10   21   C3   C3   HC    160.009
  13   10   22   C3   C3   HC     80.000
  21   10   22   HC   C3   HC     80.009
   2   11    4   O3   C2   O2    120.001
   2   11    5   O3   C2   C3    119.999
   4   11    5   O2   C2   C3    120.001
   1   12    3   O3   C2   O2    120.001
   1   12    6   O3   C2   C3    119.999
   3   12    6   O2   C2   C3    120.001
  10   13   27   C3   C3   HC     90.001
  10   13   28   C3   C3   HC    179.974
  10   13   29   C3   C3   HC     89.999
  27   13   28   HC   C3   HC     90.000
  27   13   29   HC   C3   HC    179.974
  28   13   29   HC   C3   HC     90.000
   9   14   30   C3   C3   HC     90.001
   9   14   31   C3   C3   HC    179.974
   9   14   32   C3   C3   HC     89.999
  30   14   31   HC   C3   HC     90.000
  30   14   32   HC   C3   HC    179.974
  31   14   32   HC   C3   HC     90.000


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