Experimental Database Structure Match:
  Name     :  HISTIDINE
  CAS Num  :  000071-00-1
  Exp MP (deg C):  287 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
SMILES : O=C(O)C(N)Cc(ncn1)c1
CHEM   : L-Histidine
MOL FOR: C6 H9 N3 O2 
MOL WT : 155.16
------------------------ SUMMARY MPBPWIN v1.43 --------------------


Boiling Point:  425.71 deg C (Adapted Stein and Brown Method)

Melting Point:  295.72 deg C (Adapted Joback Method)
Melting Point:  134.91 deg C (Gold and Ogle Method)
Mean Melt Pt :  215.32 deg C (Joback; Gold,Ogle Methods)
  Selected MP:  255.52 deg C (Weighted Value)

Vapor Pressure Estimations (20 deg C):
  (Using BP: 425.71 deg C (estimated))
  (Using MP: 287.00 deg C (exp database))
    VP:  9.51E-011 mm Hg (Antoine Method)
      :  1.27E-008 Pa  (Antoine Method)
    VP:  9.78E-010 mm Hg (Modified Grain Method)
      :  1.3E-007 Pa  (Modified Grain Method)
    VP:  4.4E-009 mm Hg (Mackay Method)
      :  5.86E-007 Pa  (Mackay Method)
  Selected VP:  9.78E-010 mm Hg (Modified Grain Method)
             :  1.3E-007 Pa (Modified Grain Method)
  Subcooled liquid VP:  1.03E-006 mm Hg (20 deg C, Mod-Grain method)
                     :  0.000137 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 |  2  |  CH (aromatic)     |   28.53  |   57.06
 Group |  1  |  -C (aromatic)     |   30.76  |   30.76
 Group |  2  |  N (aromatic)      |   39.88  |   79.76
 Corr  |  1  |  Imidazole [NH]    |  165.00  |  165.00
 Corr  |  1  |  Amino/acid [1]    |   70.00  |   70.00
   *   |     |  Equation Constant |          |  198.18
=============+====================+==========+=========
RESULT-uncorr|  BOILING POINT in deg Kelvin  |  868.65
RESULT- corr |  BOILING POINT in deg Kelvin  |  698.87
             |  BOILING POINT in deg C       |  425.71
-------------------------------------------------------

-------+-----+--------------------+----------+---------
 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 |  2  |  CH (aromatic)     |    8.13  |   16.26
 Group |  1  |  -C (aromatic)     |   37.02  |   37.02
 Group |  2  |  N (aromatic)      |   68.40  |  136.80
 Corr  |  1  |  Amino/acid [1]    |   10.00  |   10.00
   *   |     |  Equation Constant |          |  122.50
=============+====================+==========+=========
   RESULT    |  MELTING POINT in deg Kelvin  |  568.88
             |  MELTING POINT in deg C       |  295.72
-------------------------------------------------------

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