Experimental Database Structure Match:
  Name     :  PROLINE
  CAS Num  :  000147-85-3
  Exp MP (deg C):  221 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
Experimental Database Structure Match:
  Name     :  DL-Proline
  CAS Num  :  000609-36-9
  Exp MP (deg C):  205 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
SMILES : O=C(O)C(NCC1)C1
CHEM   : L-Proline
MOL FOR: C5 H9 N1 O2 
MOL WT : 115.13
------------------------ SUMMARY MPBPWIN v1.43 --------------------


Boiling Point:  414.14 deg C (Adapted Stein and Brown Method)

Melting Point:  349.84 deg C (Adapted Joback Method)
Melting Point:  128.15 deg C (Gold and Ogle Method)
Mean Melt Pt :  239.00 deg C (Joback; Gold,Ogle Methods)
  Selected MP:  294.42 deg C (Weighted Value)

Vapor Pressure Estimations (20 deg C):
  (Using BP: 414.14 deg C (estimated))
  (Using MP: 205.00 deg C (exp database))
    VP:  2.57E-009 mm Hg (Antoine Method)
      :  3.42E-007 Pa  (Antoine Method)
    VP:  2.01E-008 mm Hg (Modified Grain Method)
      :  2.68E-006 Pa  (Modified Grain Method)
    VP:  5.71E-008 mm Hg (Mackay Method)
      :  7.61E-006 Pa  (Mackay Method)
  Selected VP:  2.01E-008 mm Hg (Modified Grain Method)
             :  2.68E-006 Pa (Modified Grain Method)
  Subcooled liquid VP:  2E-006 mm Hg (20 deg C, Mod-Grain method)
                     :  0.000267 Pa  (20 deg C, Mod-Grain method)

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  BOIL DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  3  |  -CH2- (ring)      |   26.44  |   79.32
 Group |  1  |  >CH-  (ring)      |   21.66  |   21.66
 Group |  1  |  -COOH (acid)      |  169.83  |  169.83
 Group |  1  |  >NH   (ring)      |   65.50  |   65.50
 Corr  |  1  |  Amino/acid [3]    |  310.00  |  310.00
   *   |     |  Equation Constant |          |  198.18
=============+====================+==========+=========
RESULT-uncorr|  BOILING POINT in deg Kelvin  |  844.49
RESULT- corr |  BOILING POINT in deg Kelvin  |  687.30
             |  BOILING POINT in deg C       |  414.14
-------------------------------------------------------

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  MELT DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  3  |  -CH2- (ring)      |    7.75  |   23.25
 Group |  1  |  >CH-  (ring)      |   19.88  |   19.88
 Group |  1  |  -COOH (acid)      |  155.50  |  155.50
 Group |  1  |  >NH   (ring)      |  101.51  |  101.51
 Corr  |  1  |  Amino/acid [3]    |  210.00  |  210.00
   *   |     |  Equation Constant |          |  122.50
=============+====================+==========+=========
   RESULT    |  MELTING POINT in deg Kelvin  |  632.64
 RESULT-limit|  MELTING POINT in deg Kelvin  |  623.00
             |  MELTING POINT in deg C       |  349.84
-------------------------------------------------------

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