This set of tests examines the Benson Rules. There are several ways to examine the Benson Rule database:
The following command lists all the Benson Group Additivity Rulein the system:
BensonRule List
where:
BensonRule
: The keyword for examining the Benson Group Additivity RuledatabaseList
: The keyword to list all the names of the Benson Group Additivity RuleFor example, the following command:
BensonRule List
gives the output (just a snippet):
Group Additivity Rules -----------------------------------------
c-(h)/3-(c)
c-(c/b)(h)/3
c-(c/d)(h)/3
c-(h)/2-(c)/2
c-(h)-(c)/3
c-(c)/4
c/d-(h)/2
c/d-(h)-(c)
c/d-(c)/2
c/d-(c/d)-(h)
c/d-(c/d)-(c)
c/d-(c/b)-(h)
c/d-(c/b)-(c)
c/d-(c/t)-(h)
c/d-(c/b)/2
c/d-(c/d)/2
c-(c/d)-(c)-(h)/2
c-(c/d)/2-(h)/2
c-(c/d)-(c/b)-(h)/2
c-(c/t)-(c)-(h)/2
c-(c/b)-(c)-(h)/2
c-(c/d)-(c)/2-(h)
c-(c/t)-(c)/2-(h)
c-(c/b)-(c)/2-(h)
c-(c/d)-(c)/3
c-(c/b)-(c)/3
c/t-(h)
c/t-(c)
c/t-(c/d)
c/t-(c/b)
c/b-(h)-(c/b)/2
c/b-(c)-(c/b)/2
c/b-(c/d)-(c/b)/2
c/b-(c/t)-(c/b)/2
c/b-(c/b)/3
c/t-(c/t)
c-(c)/3(c/t)
c/bf-(c/bf)
c/bf-(c/bf)/2
c/bf-(c/bf)/3
c-(c/b)-(c/d)-(c)-(h)
co-(co)-(c)
co-(o)-(c/d)
co-(o)-(c/b)
co-(o)-(c)
co-(o)-(h)
co-(c/d)-(h)
co-(c/b)/2
co-(c/b)-(c)
co-(c)/2
co-(c)-(h)
co-(co)(h)
o-(c/b)(co)
o-(co)/2
o-(co)-(o)
o-(co)-(c/d)
o-(co)-(c)
o-(co)-(h)
o-(o)-(c)
o-(o)/2
o-(o)-(h)
o-(c/d)/2
o-(c/d)-(c)
o-(c/b)/2
o-(c/b)-(c)
o-(c/b)-(h)
o-(c)/2
o-(c)-(h)
c/d-(co)-(o)
c/d-(co)-(c)
c/d-(co)-(h)
c/d-(o)-(c/d)
c/d-(o)-(c)
c/d-(o)-(h)
c/b-(co)-(c/b)/2
c/b-(o)-(c/b)/2
c-(co)/2-(h)/2
c-(co)-(c)/2-(h)
c-(co)-(c)-(h)/2
c-(co)-(c)/3
c-(co)-(h)/3
c-(o)/2-(c)/2
c-(o)/2-(c)-(h)
c-(o)/2-(h)/2
c-(o)-(c/b)-(h)/2
c-(o)-(c/d)-(h)/2
c-(o)-(c)/3
c-(o)-(c)/2-(h)
c-(o)-(c)-(h)/2
c-(o)-(h)/3
c-(o)(c/t)(h)/2
o-(c/d)(h)
c-(co)(c/t)(h)/2
c-(co)-(c/b)-(h)/2
c-(co)/2(c)(h)
co-(c/t)(h)
co-(c/b)(co)
co-(o)/2
c-(co)-(c/d)-(h)/2
o-(o)-(c/d)
c-(c)-(o)-(c/d)-(h)
c-(c)/2-(o)-(c/d)
c-(o)/2-(c/d)-(h)
c-(o)/2-(c/d)-(c)
c-(o)-(co)-(c)-(h)
c-(o)/3-(h)
c-(o)/3-(c)
c-(o)/3-(c/d)
c-(h)/2-(o)-(co)
c-(c)-(o)/2-(co)
c-(o)/2-(h)-(co)
c-(h)-(c)-(c/d)2
c-(h)-(c)-(c/d)-(c/t)
o-(o)-(c/b)
c-(h)-(c/d)2-(o)
c-(c/d)-(h)-(o)-(c/b)
c-(n)-(h)/3
c-(n)-(c)-(h)/2
c-(n)-(c)/2-(h)
c-(n)-(c)/3
c-(n/i)(c)(h)
n-(c)-(h)/2
n-(c)/2-(h)
n-(c)/3
n-(n)-(h)/2
n-(n)-(c)-(h)
n-(n)-(c)/2
n-(n)-(c/b)-(h)
n/i-(h)
n/i-(c)
n/i-(c/b)
n/a-(h)
n/a-(c)
n-(c/b)-(h)/2
n-(c/b)-(c)-(h)
n-(c/b)-(c)/2
n-(c/b)/2-(h)
c/b-(n)-(c/b)/2
c/b-('no2')-(c/b)/2
n/a-(n)
co-(n)-(h)
co-(n)-(c)
n-(co)-(h)/2
n-(co)-(c)-(h)
n-(co)-(c)/2
n-(co)-(c/b)-(h)
n-(co)/2-(h)
n-(co)/2-(c)
c-(cn)-(c)-(h)/2
c-(cn)-(c)/2-(h)
c-(cn)-(c)/3
c-(cn)/2-(c)/2
c/d-(cn)-(h)
c/d-(cn)/2
c/d-('no2')(h)
c/b-(cn)-(c/b)/2
c/t-(cn)
c-('no2')(c)-(h)/2
c-('no2')(c)/2-(h)
c-('no2')/2(c)-(h)
o-(no)-(c)
c/b-(no)-(c/b)/2
c-(c)/2-('no2')/2
c-(c)('no2')/3
c/d-(c)('no2')
c-(n)-(c)/2-(co)
n-(c/b)-(co)
c-(f)/3-(c)
c-(f)/2-(h)-(c)
c-(f)-(h)/2-(c)
c-(f)/2-(c)/2
c-(f)-(h)-(c)/2
c-(f)-(c)/3
c-(f)/2-(cl)-(c)
c-(cl)/3-(c)
c-(cl)/2-(h)-(c)
c-(cl)-(h)/2-(c)
c-(cl)/2-(c)/2
c-(cl)-(h)-(c)/2
c-(cl)-(c)/3
c-(br)/3-(c)
c-(br)-(h)/2-(c)
c-(br)-(h)-(c)/2
c-(br)-(c)/3
c-(i)-(h)/2-(c)
c-(i)-(h)-(c)/2
c-(i)-(c)/3
c-(i)/2(c)(h)
c-(cl)-(br)-(h)-(c)
n-(f)/2-(c)
c-(cl)-(c)-(o)-(h)
c-(i)(o)(h)/2
c/d-(c)(cl)
c/d-(f)/2
c/d-(cl)/2
c/d-(br)/2
c/d-(f)-(cl)
c/d-(f)-(br)
c/d-(cl)-(br)
c/d-(f)-(h)
c/d-(cl)-(h)
c/d-(br)-(h)
c/d-(i)-(h)
c/t-(cl)
c/t-(br)
c/t-(i)
c/b-(f)-(c/b)/2
c/b-(cl)-(c/b)/2
c/b-(br)-(c/b)/2
c/b-(i)-(c/b)/2
c-(c/b)-(f)/3
c-(c/b)-(br)-(h)/2
c-(c/b)-(i)-(h)/2
co-(c/b)(cl)
co-(c/b)(br)
co-(c/b)(i)
c-(cl)/3-(c/d)
c-(h)/3-(s)
c-(c)-(h)/2-(s)
c-(c)/2-(h)-(s)
c-(c)/3-(s)
c-(c/b)-(h)/2-(s)
c-(c/d)-(h)/2-(s)
c/b-(s)-(c/b)/2
c/d-(h)-(s)
c/d-(c)-(s)
s-(c)-(h)
s-(c/b)-(h)
s-(c)/2
s-(c)-(c/d)
s-(c/d)/2
s-(c/b)-(c)
s-(c/b)/2
s-(s)-(c)
s-(s)-(c/b)
s-(s)/2
c-(so)-(h)/3
c-(c)-(so)-(h)/2
c-(c)/3-(so)
c-(c/d)-(so)-(h)/2
c/b-(so)-(c/b)/2
so-(c)/2
so-(c/b)/2
c-(c)-('so2')(h)/2
c-(c)/2-('so2')(h)
c-(c)/3-('so2')
c-(c/d)-('so2')(h)/2
c-(c/b)-('so2')(h)/2
c/b-('so2')-(c/b)/2
c/d-(h)-('so2')
c/d-(c)-('so2')
'so2'-(c/d)(c/b)
'so2'-(c/d)/2
'so2'-(c)/2
'so2'-(c)(c/b)
'so2'-(c/b)/2
'so2'-('so2')(c/b)
'so2'-(c/d)(c)
co-(s)-(c)
s-(h)-(co)
c-(s)-(f)/3
cs-(n)/2
n-(cs)-(h)/2
s-(s)-(n)
n-(s)-(c)/2
so-(n)/2
n-(so)-(c)/2
'so2'-(n)/2
n-('so2')(c)/2
c/b-('so2n3')-(c/b)/2
so-(c/b)(c)
c-(h)/3('so4')
'so4'-(c)/2
c-(h)/2(c)('so4')
c-(h)/3('so3')
'so3'-(c)/2
c-(h)/2(c)('so3')
c-(h)(c)/2('so4')
c-(c)/3('so4')
c-(h)(c)/2('so3')
c-(c)/3('so3')
c-(h)(c)/2(so)
c/b-('so3h')-(c/b)/2
c-(s)/2-(c)/2
c-(sn)-(h)/3
c-(sn)-(c)-(h)/2
c-(sn)-(c)/2-(h)
c-(sn)-(c)/3
c-(sn)-(c/b)-(h)/2
c/b-(sn)-(c/b)/2
c/d-(sn)-(h)
sn-(c)/4
sn-(c)/3-(cl)
sn-(c)/2-(cl)/2
sn-(c)-(cl)/3
sn-(c)/3-(br)
sn-(c)/3-(i)
sn-(c)/3-(h)
sn-(c/d)/4
sn-(c/d)/3-(cl)
sn-(c/d)/2-(cl)/2
sn-(c/d)-(cl)/3
sn-(c)/3-(c/d)
sn-(c/b)/4
sn-(c)/3-(c/b)
sn-(c)/3-(sn)
c-(pb)-(h)/3
c-(pb)-(c)-(h)/2
pb-(c)/4
o-(cr)-(c)
cr-(o)/4
c-(zn)-(h)/3
c-(zn)-(c)-(h)/2
zn-(c)/2
o-(ti)-(c)
ti-(o)/4
n-(ti)-(c)/2
ti-(n)/4
o-(v)-(c)
v-(o)/4
c-(cd)-(h)/3
c-(cd)-(c)-(h)/2
cd-(c)/2
c-(al)-(h)/3
c-(al)-(c)-(h)/2
al-(c)/3
c-(ge)-(c)-(h)/2
ge-(c)/4
ge-(ge)-(c)/3
c-(hg)-(h)/3
c-(hg)-(c)-(h)/2
c-(hg)-(c)/2-(h)
c/b-(hg)-(c/b)/2
hg-(c)/2
hg-(c)-(cl)
hg-(c)-(br)
hg-(c)-(i)
hg-(c/b)/2
hg-(c/b)-(cl)
hg-(c/b)-(br)
hg-(c/b)-(i)
c-(p)(h)/3
c-(p)(c)(h)/2
c-(po)(h)/3
c-(po)(c)(h)/2
c-(pn)-(h)/3
c-(pn)-(c)-(h)/2
c/b-(p)-(c/b)/2
c/b-(po)-(c/b)/2
c/b-(pn)-(c/b)/2
p-(c)/3
p-(c)(cl)/2
p-(c/b)/3
p-(o)/3
p-(n)/3
po-(c)/3
po-(c)(f)/2
po-(c)(cl)(f)
po-(c)(cl)/2
po-(c)(o)(cl)
po-(c)(o)/2
po-(o)/3
po-(o)/2(f)
po-(c/b)/3
po-(n)/3
o-(c)(p)
o-(h)(p)
o-(c)(po)
o-(h)(po)
o-(po)/2
o-(pn)-(c)
n-(p)(c)/2
n-(po)(c)/2
pn-(c)/4
pn-(c/b)/3-(c)
pn-(pn)/2-(c)/2
pn-(pn)/2-(c/b)/2
pn-(pn)/2-(cl)/2
pn-(pn)/2(o)/2
c-(b)(h)/3
c-(b)(c)(h)/2
c-(b)(c)/2(h)
c-('bo3')(c)(h)/2
c/d-(b)(h)
b-(c)/3
b-(c)(f)/2
b-(c)/2(cl)
b-(c)/2(br)
b-(c)/2(i)
b-(c)/2(o)
b-(c/d)(f)/2
b-(o)/3
b-(o)/2(cl)
b-(o)(cl)/2
b-(o)/2(h)
b-(n)/3
b-(n)/2(cl)
b-(n)(cl)/2
'bo3'-(c)/3
o-(b)(h)
o-(b)(c)
n-(b)(c)/2
b-(s)/3
s-(b)(c)
s-(b)(c/b)
c/b-(pb)-(c/b)/2
pb-(c/b)/4
c-(h)/3(si)
si-(c)/4
si-(c)(h)/3
si-(c/b)/4
c/b-(si)-(c/b)/2
c-(h)/2(c)(si)
c-(c/d)/2-(c)-(h)
c-(h)/2-(c/t)/2
c-(h)/2-(c/b)/2
c-(h)-(c/b)/3
c-(c/b)/4
c-(h)-(o)-(co)-(c)
c-(o)/4
c-(h)-(o)/3
c-(c)/2-(o)-(c/b)
c-(h)/2-(n)/2
c-(h)/2-(c/b)-(n)
n-(h)-(c/d)/2
n-(c)-(c/d)/2
n-(c)-(c/b)/2
n-(c/b)/3
n/a-(c/b)
c-(h)/2-(c)-(n/a)
c-(h)-(c)/2-(n/a)
c-(c)/3-(n/a)
c/d-(h)-(n)
c/d-(c)-(n)
c/b-(n/a)-(c/b)/2
c/b-(h)-(n/i)/2
co-(n)/2
c-(c/d)-(cn)-(h)/2
c-(c/b)-('no2')-(h)/2
c-(co)-(n)-(c)-(h)
c-(co)-(n)-(h)/2
n-(c)-('no2')/2
n-(c)-(c/b)-('no2')
n-(c)/2-(no)
n-(c)/2-('no2')
c-(s)/2-(h)/2
s-(c/d)-(h)
s-(s)-(h)
o-(so)-(h)
o-(so)-(c)
so-(o)/2
c-(c/d)-(c)-('so2')-(h)
c-(c/t)-('so2')-(h)/2
c/t-('so2')
'so2'-(o)/2
'so2'-(c/t)-(c/b)
o-('so2')-(h)
o-('so2')-(c)
c-(c)-('cl')-(f)-(h)
c-(c)-(cl)/2-(f)
c-(c)-(br)-(f)/2
c-(h)/2-(co)-(cl)
c-(h)-(co)-(cl)/2
co-(c)-(f)
c-(c/b)-(cl)-(h)/2
co-(c)-(cl)
co-(c)-(br)
co-(c)-(i)
c-(co)-(cl)-(c)-(h)
c-(h)/3-(n/a)
c-(h)/3-(n/i)
c-(c/t)(h)/3
co-(c/b)-(h)
co-(co)(o)
o-(c/t)(h)
co-(c/d)-(c)
c-('no2')(c)/3
o-('no2')(c)
c-('so2')(h)/3
c-('bo3')(h)/3
co-(c/d)-(n)
Group Additivity Rules -----------------------------------------
The following command give the Benson Group Additivity rule for the element:
BensonRule Element name
where:
BensonRule
: The keyword for examining the Benson Group Additivity Rule databaseElement
: The keyword to retrieve the Benson Group Additivity RuleFor example, the following command:
BensonRule Element "o-(co)-(c)"
gives the output:
Group Additivity Rule -----------------------------------------
BensonThermodynamicBase(o-(co)-(c)): Reference: 'Benson20210129'
H298: -45.13 S298: 8.61 [ 300.0, 2.82] [ 400.0, 3.79] [ 500.0, 4.38] [ 600.0, 4.73] [ 800.0, 4.91] [ 1000.0, 5.03]
Group Additivity Rule -----------------------------------------
The command:
BensonRuleTest Single "ch3/ch2/ch3" "c-(c)-(h)/3"
where:
BensonRuleTest
: the keyword for Benson Atom testsSingle
: The keyword signalling the testing of a single Benson Group Additivity Ruleelementmolecule
: The molecule in Nancy linear formelement
: The database name of the Benson Group Additivity RuleThe output is in three parts:
For example, to test one of the primary carbon Benson Rule on propane (quotes are used around the molecule and element because of the special characters:
BensonRuleTest Single "ch3/ch2/ch3" "c-(c)-(h)/3"
The output is:
Molecule -----------------------------------------------
<?xml version="1.0" encoding="ISO-8859-1"?>
<molecule id="m1" xmlns="http://www.xml-cml.org/schema">
<atomArray>
<atom id="a0" elementType="C" formalCharge="0"/>
<atom id="a1" elementType="H" formalCharge="0"/>
<atom id="a2" elementType="H" formalCharge="0"/>
<atom id="a3" elementType="H" formalCharge="0"/>
<atom id="a4" elementType="C" formalCharge="0"/>
<atom id="a5" elementType="H" formalCharge="0"/>
<atom id="a6" elementType="H" formalCharge="0"/>
<atom id="a7" elementType="C" formalCharge="0"/>
<atom id="a8" elementType="H" formalCharge="0"/>
<atom id="a9" elementType="H" formalCharge="0"/>
<atom id="a10" elementType="H" formalCharge="0"/>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a1 a0" order="S"/>
<bond id="b2" atomRefs2="a2 a0" order="S"/>
<bond id="b3" atomRefs2="a3 a0" order="S"/>
<bond id="b4" atomRefs2="a4 a0" order="S"/>
<bond id="b5" atomRefs2="a5 a4" order="S"/>
<bond id="b6" atomRefs2="a6 a4" order="S"/>
<bond id="b7" atomRefs2="a7 a4" order="S"/>
<bond id="b8" atomRefs2="a8 a7" order="S"/>
<bond id="b9" atomRefs2="a9 a7" order="S"/>
<bond id="b10" atomRefs2="a10 a7" order="S"/>
</bondArray>
</molecule>
Molecule -----------------------------------------------
Molecule with Benson meta atoms ------------------------------
<?xml version="1.0" encoding="ISO-8859-1"?>
<molecule id="m1" xmlns="http://www.xml-cml.org/schema">
<atomArray>
<atom id="a0" elementType="H" formalCharge="0"/>
<atom id="a1" elementType="H" formalCharge="0"/>
<atom id="a2" elementType="H" formalCharge="0"/>
<atom id="a3" elementType="H" formalCharge="0"/>
<atom id="a4" elementType="H" formalCharge="0"/>
<atom id="a5" elementType="H" formalCharge="0"/>
<atom id="a6" elementType="H" formalCharge="0"/>
<atom id="a7" elementType="H" formalCharge="0"/>
<atom id="a8" elementType="C" formalCharge="0">
<scalar dictRef="cdk:partialCharge" dataType="xsd:double">0.0</scalar>
</atom>
<atom id="a9" elementType="C" formalCharge="0">
<scalar dictRef="cdk:partialCharge" dataType="xsd:double">0.0</scalar>
</atom>
<atom id="a10" elementType="C" formalCharge="0">
<scalar dictRef="cdk:partialCharge" dataType="xsd:double">0.0</scalar>
</atom>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a0 a8" order="S"/>
<bond id="b2" atomRefs2="a1 a8" order="S"/>
<bond id="b3" atomRefs2="a2 a8" order="S"/>
<bond id="b4" atomRefs2="a9 a8" order="S"/>
<bond id="b5" atomRefs2="a3 a9" order="S"/>
<bond id="b6" atomRefs2="a4 a9" order="S"/>
<bond id="b7" atomRefs2="a10 a9" order="S"/>
<bond id="b8" atomRefs2="a5 a10" order="S"/>
<bond id="b9" atomRefs2="a6 a10" order="S"/>
<bond id="b10" atomRefs2="a7 a10" order="S"/>
</bondArray>
</molecule>
Molecule with Benson meta atoms ------------------------------
Benson Group Structure ----------------------------------
Benson Group: c-(c)-(h)/3 Center: c [c,1] [h,3]
Benson Group Structure ----------------------------------
List of Atoms applied (2)--------------------------------------
a8: C
a10: C
List of Atoms applied ------------------------------------------
The command:
BensonRuleTest Full molecule
where:
BensonRuleTest
: the keyword for Benson Atom testsmolecule
: The molecule in Nancy linear formThe output is in two parts:
For example, to test Benson Group Additivity Rule recognition of JThermodynamics on propane (quotes are used around the molecule and element because of the special characters):
BensonRuleTest Full "ch3/ch2/ch3"
The output is:
Molecule -----------------------------------------------
<?xml version="1.0" encoding="ISO-8859-1"?>
<molecule id="m1" xmlns="http://www.xml-cml.org/schema">
<atomArray>
<atom id="a0" elementType="C" formalCharge="0"/>
<atom id="a1" elementType="H" formalCharge="0"/>
<atom id="a2" elementType="H" formalCharge="0"/>
<atom id="a3" elementType="H" formalCharge="0"/>
<atom id="a4" elementType="C" formalCharge="0"/>
<atom id="a5" elementType="H" formalCharge="0"/>
<atom id="a6" elementType="H" formalCharge="0"/>
<atom id="a7" elementType="C" formalCharge="0"/>
<atom id="a8" elementType="H" formalCharge="0"/>
<atom id="a9" elementType="H" formalCharge="0"/>
<atom id="a10" elementType="H" formalCharge="0"/>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a1 a0" order="S"/>
<bond id="b2" atomRefs2="a2 a0" order="S"/>
<bond id="b3" atomRefs2="a3 a0" order="S"/>
<bond id="b4" atomRefs2="a4 a0" order="S"/>
<bond id="b5" atomRefs2="a5 a4" order="S"/>
<bond id="b6" atomRefs2="a6 a4" order="S"/>
<bond id="b7" atomRefs2="a7 a4" order="S"/>
<bond id="b8" atomRefs2="a8 a7" order="S"/>
<bond id="b9" atomRefs2="a9 a7" order="S"/>
<bond id="b10" atomRefs2="a10 a7" order="S"/>
</bondArray>
</molecule>
Molecule -----------------------------------------------
With Benson Atoms ----------------------------------------------------------
<?xml version="1.0" encoding="ISO-8859-1"?>
<molecule id="m1" xmlns="http://www.xml-cml.org/schema">
<atomArray>
<atom id="a0" elementType="H" formalCharge="0"/>
<atom id="a1" elementType="H" formalCharge="0"/>
<atom id="a2" elementType="H" formalCharge="0"/>
<atom id="a3" elementType="H" formalCharge="0"/>
<atom id="a4" elementType="H" formalCharge="0"/>
<atom id="a5" elementType="H" formalCharge="0"/>
<atom id="a6" elementType="H" formalCharge="0"/>
<atom id="a7" elementType="H" formalCharge="0"/>
<atom id="a8" elementType="C" formalCharge="0">
<scalar dictRef="cdk:partialCharge" dataType="xsd:double">0.0</scalar>
</atom>
<atom id="a9" elementType="C" formalCharge="0">
<scalar dictRef="cdk:partialCharge" dataType="xsd:double">0.0</scalar>
</atom>
<atom id="a10" elementType="C" formalCharge="0">
<scalar dictRef="cdk:partialCharge" dataType="xsd:double">0.0</scalar>
</atom>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a0 a8" order="S"/>
<bond id="b2" atomRefs2="a1 a8" order="S"/>
<bond id="b3" atomRefs2="a2 a8" order="S"/>
<bond id="b4" atomRefs2="a9 a8" order="S"/>
<bond id="b5" atomRefs2="a3 a9" order="S"/>
<bond id="b6" atomRefs2="a4 a9" order="S"/>
<bond id="b7" atomRefs2="a10 a9" order="S"/>
<bond id="b8" atomRefs2="a5 a10" order="S"/>
<bond id="b9" atomRefs2="a6 a10" order="S"/>
<bond id="b10" atomRefs2="a7 a10" order="S"/>
</bondArray>
</molecule>
With Benson Atoms ----------------------------------------------------------
Contributions ----------------------------------------------------------
BensonThermodynamicBase(c-(h)/3-(c)): Reference: 'Benson20210129'
H298: -10.01 S298: 30.29 [ 300.0, 7.74] [ 400.0, 9.24] [ 500.0, 10.62] [ 600.0, 12.84] [ 800.0, 14.59] [ 1000.0, 14.77] [ 1500.0, 17.58]
BensonThermodynamicBase(c-(h)/2-(c)/2): Reference: 'Benson20210129'
H298: -5.00 S298: 9.65 [ 300.0, 5.59] [ 400.0, 7.08] [ 500.0, 8.43] [ 600.0, 9.53] [ 800.0, 11.23] [ 1000.0, 12.48] [ 1500.0, 14.25]
BensonThermodynamicBase(c-(h)/3-(c)): Reference: 'Benson20210129'
H298: -10.01 S298: 30.29 [ 300.0, 7.74] [ 400.0, 9.24] [ 500.0, 10.62] [ 600.0, 12.84] [ 800.0, 14.59] [ 1000.0, 14.77] [ 1500.0, 17.58]
Total ------------------------------------------------------------------
BensonThermodynamicBase(Total): Reference: 'Sum Total'
H298: -25.02 S298: 70.23 [ 300.0, 21.07] [ 400.0, 25.56] [ 500.0, 29.67] [ 600.0, 35.21] [ 800.0, 40.41] [ 1000.0, 42.02] [ 1500.0, 49.41]------------------------------------------------------------------------