Experimental Database Structure Match:
  Name     :  ASPARTIC ACID
  CAS Num  :  000056-84-8
  Exp MP (deg C):  270 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
Experimental Database Structure Match:
  Name     :  DL-Aspartic acid
  CAS Num  :  000617-45-8
  Exp MP (deg C):  275 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
SMILES : O=C(O)C(N)CC(=O)O
CHEM   : L-Aspartic acid
MOL FOR: C4 H7 N1 O4 
MOL WT : 133.10
------------------------ SUMMARY MPBPWIN v1.43 --------------------


Boiling Point:  347.74 deg C (Adapted Stein and Brown Method)

Melting Point:  261.14 deg C (Adapted Joback Method)
Melting Point:   89.38 deg C (Gold and Ogle Method)
Mean Melt Pt :  175.26 deg C (Joback; Gold,Ogle Methods)
  Selected MP:  218.20 deg C (Weighted Value)

Vapor Pressure Estimations (20 deg C):
  (Using BP: 347.74 deg C (estimated))
  (Using MP: 275.00 deg C (exp database))
    VP:  4.95E-008 mm Hg (Antoine Method)
      :  6.59E-006 Pa  (Antoine Method)
    VP:  1.16E-007 mm Hg (Modified Grain Method)
      :  1.55E-005 Pa  (Modified Grain Method)
    VP:  4.63E-007 mm Hg (Mackay Method)
      :  6.17E-005 Pa  (Mackay Method)
  Selected VP:  1.16E-007 mm Hg (Modified Grain Method)
             :  1.55E-005 Pa (Modified Grain Method)
  Subcooled liquid VP:  8.58E-005 mm Hg (20 deg C, Mod-Grain method)
                     :  0.0114 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 |  2  |  -COOH (acid)      |  169.83  |  339.66
 Group |  1  |  -NH2              |   61.98  |   61.98
 Corr  |  1  |  Amino/acid [1]    |   70.00  |   70.00
   *   |     |  Equation Constant |          |  198.18
=============+====================+==========+=========
RESULT-uncorr|  BOILING POINT in deg Kelvin  |  705.90
RESULT- corr |  BOILING POINT in deg Kelvin  |  620.90
             |  BOILING POINT in deg C       |  347.74
-------------------------------------------------------

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  MELT DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  1  |  -CH2-             |   11.27  |   11.27
 Group |  1  |  >CH-              |   12.64  |   12.64
 Group |  2  |  -COOH (acid)      |  155.50  |  311.00
 Group |  1  |  -NH2              |   66.89  |   66.89
 Corr  |  1  |  Amino/acid [1]    |   10.00  |   10.00
   *   |     |  Equation Constant |          |  122.50
=============+====================+==========+=========
   RESULT    |  MELTING POINT in deg Kelvin  |  534.30
             |  MELTING POINT in deg C       |  261.14
-------------------------------------------------------

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