Experimental Database Structure Match:
  Name     :  ASPARAGINE
  CAS Num  :  000070-47-3
  Exp MP (deg C):  234-235 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
SMILES : O=C(O)C(N)CC(=O)N
CHEM   : L-Asparagine
MOL FOR: C4 H8 N2 O3 
MOL WT : 132.12
------------------------ SUMMARY MPBPWIN v1.43 --------------------


Boiling Point:  376.75 deg C (Adapted Stein and Brown Method)

Melting Point:  335.64 deg C (Adapted Joback Method)
Melting Point:  106.32 deg C (Gold and Ogle Method)
Mean Melt Pt :  220.98 deg C (Joback; Gold,Ogle Methods)
  Selected MP:  278.31 deg C (Weighted Value)

Vapor Pressure Estimations (20 deg C):
  (Using BP: 376.75 deg C (estimated))
  (Using MP: 234.00 deg C (exp database))
    VP:  2.02E-008 mm Hg (Antoine Method)
      :  2.69E-006 Pa  (Antoine Method)
    VP:  7.47E-008 mm Hg (Modified Grain Method)
      :  9.96E-006 Pa  (Modified Grain Method)
    VP:  2.4E-007 mm Hg (Mackay Method)
      :  3.2E-005 Pa  (Mackay Method)
  Selected VP:  7.47E-008 mm Hg (Modified Grain Method)
             :  9.96E-006 Pa (Modified Grain Method)
  Subcooled liquid VP:  1.68E-005 mm Hg (20 deg C, Mod-Grain method)
                     :  0.00225 Pa  (20 deg C, Mod-Grain method)

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  BOIL DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  1  |  -CH2-             |   24.22  |   24.22
 Group |  1  |  >CH-              |   11.86  |   11.86
 Group |  1  |  -COOH (acid)      |  169.83  |  169.83
 Group |  1  |  -NH2              |   61.98  |   61.98
 Group |  1  |  -C(=O)NH2         |  230.39  |  230.39
 Corr  |  1  |  Amino/acid [1]    |   70.00  |   70.00
   *   |     |  Equation Constant |          |  198.18
=============+====================+==========+=========
RESULT-uncorr|  BOILING POINT in deg Kelvin  |  766.46
RESULT- corr |  BOILING POINT in deg Kelvin  |  649.91
             |  BOILING POINT in deg C       |  376.75
-------------------------------------------------------

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  MELT DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  1  |  -CH2-             |   11.27  |   11.27
 Group |  1  |  >CH-              |   12.64  |   12.64
 Group |  1  |  -COOH (acid)      |  155.50  |  155.50
 Group |  1  |  -NH2              |   66.89  |   66.89
 Group |  1  |  -C(=O)NH2         |  230.00  |  230.00
 Corr  |  1  |  Amino/acid [1]    |   10.00  |   10.00
   *   |     |  Equation Constant |          |  122.50
=============+====================+==========+=========
   RESULT    |  MELTING POINT in deg Kelvin  |  608.80
             |  MELTING POINT in deg C       |  335.64
-------------------------------------------------------

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