Experimental Database Structure Match:
  Name     :  PHENYLALANINE
  CAS Num  :  000063-91-2
  Exp MP (deg C):  283 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
Experimental Database Structure Match:
  Name     :  DL-PHENYLALANINE
  CAS Num  :  000150-30-1
  Exp MP (deg C):  186 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
SMILES : O=C(O)C(N)Cc(cccc1)c1
CHEM   : L-Phenylalanine
MOL FOR: C9 H11 N1 O2 
MOL WT : 165.19
------------------------ SUMMARY MPBPWIN v1.43 --------------------


Boiling Point:  392.57 deg C (Adapted Stein and Brown Method)

Melting Point:  293.31 deg C (Adapted Joback Method)
Melting Point:  115.56 deg C (Gold and Ogle Method)
Mean Melt Pt :  204.44 deg C (Joback; Gold,Ogle Methods)
  Selected MP:  248.87 deg C (Weighted Value)

Vapor Pressure Estimations (20 deg C):
  (Using BP: 392.57 deg C (estimated))
  (Using MP: 186.00 deg C (exp database))
    VP:  2.35E-008 mm Hg (Antoine Method)
      :  3.13E-006 Pa  (Antoine Method)
    VP:  1.16E-007 mm Hg (Modified Grain Method)
      :  1.55E-005 Pa  (Modified Grain Method)
    VP:  3.01E-007 mm Hg (Mackay Method)
      :  4.01E-005 Pa  (Mackay Method)
  Selected VP:  1.16E-007 mm Hg (Modified Grain Method)
             :  1.55E-005 Pa (Modified Grain Method)
  Subcooled liquid VP:  6.87E-006 mm Hg (20 deg C, Mod-Grain method)
                     :  0.000916 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 |  5  |  CH (aromatic)     |   28.53  |  142.65
 Group |  1  |  -C (aromatic)     |   30.76  |   30.76
 Corr  |  1  |  Amino/acid [2]    |  160.00  |  160.00
   *   |     |  Equation Constant |          |  198.18
=============+====================+==========+=========
RESULT-uncorr|  BOILING POINT in deg Kelvin  |  799.48
RESULT- corr |  BOILING POINT in deg Kelvin  |  665.73
             |  BOILING POINT in deg C       |  392.57
-------------------------------------------------------

-------+-----+--------------------+----------+---------
 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 |  5  |  CH (aromatic)     |    8.13  |   40.65
 Group |  1  |  -C (aromatic)     |   37.02  |   37.02
 Corr  |  1  |  Amino/acid [2]    |  120.00  |  120.00
   *   |     |  Equation Constant |          |  122.50
=============+====================+==========+=========
   RESULT    |  MELTING POINT in deg Kelvin  |  566.47
             |  MELTING POINT in deg C       |  293.31
-------------------------------------------------------

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