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/PHYPRP


Key line:
 
/PHYPRP,n,0        (A7,1X,I4,1X,I4)
Data line:
 
n(PhysPar,Value)   n(1X,A5,1X,E12.6)
Default: n = 0

For historical reasons physical properties have been stored in two different formats. However, for new developments only the format designated by the keyword /PHYPRP should be used. The other format is described in this document for reference purposes only.

The physical properties are defined by the following identifiers:

MELTP melt. point (1 atm)
BOILP boil. point (1 atm)
DENSI density d[4;20]
REFRX refr.index n[D;20]
LGKOC lg(Koc)
ACCOF activity coeff
WAALA a in van d'Waals eq.
WAALB b in van d'Waals eq.
WSOLU water solubility
DHF0 dH(f) (298 K)
DFF0 dG(f) (298 K)
LOGKF log Kf0
ENTR0 S(0) (298 K)
LOGHY log Henry's constant
DIPOL dipole moment
HEATV heat of vaporization
MOLVL molecular volume
RETIX retention index
CRITT critical temperature
POLAR polarizability



Last Update: 2012-Oct-20