Experimental Database Structure Match:
  Name     :  THREONINE(L)
  CAS Num  :  000072-19-5
  Exp MP (deg C):  256 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
Experimental Database Structure Match:
  Name     :  D-Threonine
  CAS Num  :  000632-20-2
  Exp MP (deg C):  274 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
SMILES : O=C(O)C(N)C(O)C
CHEM   : L-Threonine
MOL FOR: C4 H9 N1 O3 
MOL WT : 119.12
------------------------ SUMMARY MPBPWIN v1.43 --------------------


Boiling Point:  352.73 deg C (Adapted Stein and Brown Method)

Melting Point:  256.36 deg C (Adapted Joback Method)
Melting Point:   92.30 deg C (Gold and Ogle Method)
Mean Melt Pt :  174.33 deg C (Joback; Gold,Ogle Methods)
  Selected MP:  215.34 deg C (Weighted Value)

Vapor Pressure Estimations (20 deg C):
  (Using BP: 352.73 deg C (estimated))
  (Using MP: 274.00 deg C (exp database))
    VP:  1.01E-009 mm Hg (Antoine Method)
      :  1.35E-007 Pa  (Antoine Method)
    VP:  3.09E-009 mm Hg (Modified Grain Method)
      :  4.13E-007 Pa  (Modified Grain Method)
    VP:  3.6E-007 mm Hg (Mackay Method)
      :  4.8E-005 Pa  (Mackay Method)
  Selected VP:  3.09E-009 mm Hg (Modified Grain Method)
             :  4.13E-007 Pa (Modified Grain Method)
  Subcooled liquid VP:  2.22E-006 mm Hg (20 deg C, Mod-Grain method)
                     :  0.000295 Pa  (20 deg C, Mod-Grain method)

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  BOIL DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  1  |  -CH3              |   21.98  |   21.98
 Group |  2  |  >CH-              |   11.86  |   23.72
 Group |  1  |  -COOH (acid)      |  169.83  |  169.83
 Group |  1  |  -NH2              |   61.98  |   61.98
 Group |  1  |  -OH (secondary)   |   80.63  |   80.63
 Corr  |  1  |  Amino/acid [2]    |  160.00  |  160.00
   *   |     |  Equation Constant |          |  198.18
=============+====================+==========+=========
RESULT-uncorr|  BOILING POINT in deg Kelvin  |  716.32
RESULT- corr |  BOILING POINT in deg Kelvin  |  625.89
             |  BOILING POINT in deg C       |  352.73
-------------------------------------------------------

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  MELT DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  1  |  -CH3              |   -5.10  |   -5.10
 Group |  2  |  >CH-              |   12.64  |   25.28
 Group |  1  |  -COOH (acid)      |  155.50  |  155.50
 Group |  1  |  -NH2              |   66.89  |   66.89
 Group |  1  |  -OH (secondary)   |   44.45  |   44.45
 Corr  |  1  |  Amino/acid [2]    |  120.00  |  120.00
   *   |     |  Equation Constant |          |  122.50
=============+====================+==========+=========
   RESULT    |  MELTING POINT in deg Kelvin  |  529.52
             |  MELTING POINT in deg C       |  256.36
-------------------------------------------------------

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