Experimental Database Structure Match:
  Name     :  TYROSINE
  CAS Num  :  000060-18-4
  Exp MP (deg C):  343 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
Experimental Database Structure Match:
  Name     :  DL-TYROSINE
  CAS Num  :  000556-03-6
  Exp MP (deg C):  325 dec 
  Exp BP (deg C):  --- 
  Exp VP (mm Hg):  --- 
 
SMILES : O=C(O)C(N)Cc(ccc(O)c1)c1
CHEM   : L-Tyrosine
MOL FOR: C9 H11 N1 O3 
MOL WT : 181.19
------------------------ SUMMARY MPBPWIN v1.43 --------------------


Boiling Point:  384.29 deg C (Adapted Stein and Brown Method)

Melting Point:  295.03 deg C (Adapted Joback Method)
Melting Point:  110.72 deg C (Gold and Ogle Method)
Mean Melt Pt :  202.88 deg C (Joback; Gold,Ogle Methods)
  Selected MP:  248.95 deg C (Weighted Value)

Vapor Pressure Estimations (20 deg C):
  (Using BP: 384.29 deg C (estimated))
  (Using MP: 325.00 deg C (exp database))
    VP:  1.52E-010 mm Hg (Antoine Method)
      :  2.02E-008 Pa  (Antoine Method)
    VP:  7.27E-010 mm Hg (Modified Grain Method)
      :  9.69E-008 Pa  (Modified Grain Method)
    VP:  1.91E-008 mm Hg (Mackay Method)
      :  2.54E-006 Pa  (Mackay Method)
  Selected VP:  7.27E-010 mm Hg (Modified Grain Method)
             :  9.69E-008 Pa (Modified Grain Method)
  Subcooled liquid VP:  2.37E-006 mm Hg (20 deg C, Mod-Grain method)
                     :  0.000317 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  |  -OH (phenol)      |   70.48  |   70.48
 Group |  1  |  -COOH (acid)      |  169.83  |  169.83
 Group |  1  |  -NH2              |   61.98  |   61.98
 Group |  4  |  CH (aromatic)     |   28.53  |  114.12
 Group |  2  |  -C (aromatic)     |   30.76  |   61.52
 Corr  |  1  |  Amino/acid [1]    |   70.00  |   70.00
   *   |     |  Equation Constant |          |  198.18
=============+====================+==========+=========
RESULT-uncorr|  BOILING POINT in deg Kelvin  |  782.19
RESULT- corr |  BOILING POINT in deg Kelvin  |  657.45
             |  BOILING POINT in deg C       |  384.29
-------------------------------------------------------

-------+-----+--------------------+----------+---------
 TYPE  | NUM |  MELT DESCRIPTION  |  COEFF   |  VALUE  
-------+-----+--------------------+----------+---------
 Group |  1  |  -CH2-             |   11.27  |   11.27
 Group |  1  |  >CH-              |   12.64  |   12.64
 Group |  1  |  -OH (phenol)      |   82.83  |   82.83
 Group |  1  |  -COOH (acid)      |  155.50  |  155.50
 Group |  1  |  -NH2              |   66.89  |   66.89
 Group |  4  |  CH (aromatic)     |    8.13  |   32.52
 Group |  2  |  -C (aromatic)     |   37.02  |   74.04
 Corr  |  1  |  Amino/acid [1]    |   10.00  |   10.00
   *   |     |  Equation Constant |          |  122.50
=============+====================+==========+=========
   RESULT    |  MELTING POINT in deg Kelvin  |  568.19
             |  MELTING POINT in deg C       |  295.03
-------------------------------------------------------

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