============================ * JH PROGRAM SUITE * ==============================
================ * Procedure Joback-Reid (organic compounds) * =================
Version 1.01 for Android (ARM)
Compiled 2018-02-17 using X11-BASIC
(C) Alan Liska & Veronika Ruzickova, 2018
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A. BATCH USE
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I. Input file

The standard input contains individual lines describing the type and number
of fragments included in the calculated molecule as in the example of
colamine (saved as JH-Joback.inp to /mnt/sdcard/JH/Program/Joback/):

-CH2-;2
-OH alc.;1
-NH2;1

(please note that the fragment definition is the same as in the database file
JH-Joback.dat).

II. Parameter file

General layout of the parameter file JH-Joback.par is as follows:

constant for normal boiling point estimation / K;
constant for normal freezing point estimation / K;
first constant for critical temperature estimation / K2;
second constant for critical temperature estimation / K;
first constant for critical pressure estimation / bar3;
second constant for critical pressure estimation / bar3;
constant for critical molar volume estimation / cm3.mol-1;
constant for standard fusion enthalpy estimation / kJ.mol-1;
constant for standard fusion free energy estimation / kJ.mol-1;
first constant for heat capacity estimation / J.K-1.mol-1;
second constant for heat capacity estimation / J.K-2.mol-1;
third constant for heat capacity estimation / J.K-3.mol-1;
fourth constant for heat capacity estimation / J.K-4.mol-1;
constant for standard vaporization enthalpy estimation / kJ.mol-1;
constant for standard freezing enthalpy estimation / kJ.mol-1;
first constant for viscosity estimation;
second constant for viscosity estimation;
custom temperature

III. Database and other files

The program comes along with some additional files which must be present
in the same folder as JH-Joback.b when performing calculations. 
These are (including their structure):

essential:

JH-Joback.b (the standalone program)

JH-Joback.dat

fragment;Tc;Pc;Vc;Tb;Tf;DHf;DGf;a;b;c;d;Hvb;Hf;EtaA;EtaB;NA;M

(for units, please check ref. [1])

JH-Joback.par
described above

JH-Joback.inp
(this file is modified to obtain the desired results)

and as an example

JH-Joback.out
(not necessary to be present, it is generated as a result of the
calculation). 

If the requested fragment is not present in the database file 
JH-Joback.dat, it is possible to add manually the missing
data. It is also possible to change the parameters used in the calculations
stored in the file JH-Joback.par. The only limitation is that the number of 
fragments must not exceed 100. 
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B. INTERACTIVE MODE
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As most of programs which deal with structural input data, JH-Joback.b does
not support interactive mode as well. It is necessary to input data through the
file named JH-Joback.inp present in the same folder as other files. 
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C. TROUBLESHOOTING, FEEDBACK
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Once you input element that is/are not present in the datasheets, the error 
message is generated and the program terminated. Its necessary to repeat the 
input procedure with correct data again. 
In case of bugs, any report sent to the authors (alan.liska@jh-inst.cas.cz)
is welcomed. 
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D. DISCLAIMER, LICENSE
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This program is being developed as a freeware with ABSOLUTELY NO WARRANTY
concerning the correct functionality of the software and the reliability of the
predicted data. The authors CARRY NO RESPONSIBILITY for any kind of situation
connected to use of this software as well as ARE NOT OBLIGED to provide any 
kind of support. 
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E. REVISION HISTORY
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1.00 Primary version.
1.01 Program renamed, headings were added to the database and parameter files.
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WARNING
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Please note that not every molecule property is parametrized within requested
set of group contributions. Therefore, some predicted values can be mislead.
Before further use, please check the file JH-Joback.dat for presence of needed
data.
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REFERENCES:
[1] K.G. Joback, R.C. Reid, Chem.Eng. Comm. 57 (1987) 233-243.
ACKNOWLEDGEMENTS
Markus Hoffmann: X11-BASIC, Version 1.25, 1997-2018, x11-basic.sourceforge.net
(Interpreter & Compiler)
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