Abraham model expressions for correlating and predicting solubilities and molar solubility ratios of crystalline nonelectrolyte organic compounds in dibutyl adipate
Gabriel Pérez,
Adam Witterstaetter,
Bradley Lin
и другие.
Physics and Chemistry of Liquids,
Год журнала:
2025,
Номер
unknown, С. 1 - 13
Опубликована: Янв. 15, 2025
Abraham
model
correlations
have
been
derived
for
solute
transfer
into
the
dibutyl
adipate
mono-solvent
from
both
water
and
gas
phase
based
on
spectrophotometric
solubility
measurements
a
chemically
diverse
set
of
33
different
crystalline
organic
compounds
covering
wide
range
polarity
hydrogen-bonding
characteristics.
The
describe
observed
molar
data
to
within
an
overall
standard
deviation
0.13
log
units.
Comparison
reported
equations
with
those
previously
determined
dimethyl
reveal
that
respective
dialkyl
mono-solvents
are
essentially
identical,
at
least
coefficient's
combined
error.
Язык: Английский
Experiment-based Abraham model solute descriptors for 2‑[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid
Audrey Chen,
Jocelyn Chen,
Sri Kowtha
и другие.
Physics and Chemistry of Liquids,
Год журнала:
2024,
Номер
unknown, С. 1 - 10
Опубликована: Ноя. 15, 2024
Abraham
model
solute
descriptors
for
2‑[4-(dibutylamino)-2-hydroxybenzoyl]benzoic
acid
were
determined
from
the
compound's
published
solubility
data
in
10
organic
solvents
of
varying
polarity
and
hydrogen-bonding
character.
The
calculated
hydrogen-bond
donor
descriptor
value,
A
=
0.548,
suggests
that
intramolecular
bond
formation
occurs
between
hydrogen
atom
on
-OH
functional
group
one
two
lone
pairs
electrons
oxygen
ketone
group,
>C=O,
which
would
result
a
six-membered
hydrogen-bonded
ring
structure.
much
larger
A-solute
be
expected
if
atoms
both
-COOH
groups
free
to
engage
intermolecular
H-bond
with
surrounding
solvent
molecules.
Язык: Английский