Solvent
1,2-EthaneDiol
CCl4
tetrachloromethane
CH3NO2
CHCl3
CS2
cyclohexane
DCE
DCM
DME
DMF
DMSO
dimethyl sulfoxide
Et2O
EtOH
Hexane
iPrOH
MeCN
MeOH
n-pentane
PhCl
chlorobenzene
PhMe
THF
1,2,3-propanetriol
1,2-diaminoethane
2-butanol
2-butanone
2-methyl-1-propanol
2-pentanone
2-propen-1-ol
3-methylphenol
3-pentanone
4-methyl-2-pentanone
acetic acid
acetone
acetophenone
AE
Benzene
benzyl alcohol
butanol
butyl acetate
CF3CH2OH
cis-decalin
cyclohexanol
cyclohexanone
decanol
dibenzyl ether
dioxane
dodecane
formamide
formic acid
heptane
HFIP
methyl acetate
morpholine
N,N-dimethylacetamide
nitrobenzene
NMP
nPrOH
propanol
octane
oxolan-2-one
pentanol
PhF
pyridine
water
1,1,1-trichloroethane
1,1,2-trichloroethane
1,2,4-trimethylbenzene
1,2-dibromoethane
1-bromo-2-methylpropane
1-bromooctane
1-bromopentane
1-bromopropane
1-chlorohexane
1-chloropentane
1-chloropropane
1-fluorooctane
1-heptanol
1-hexanol
1-hexene
1-hexyne
1-iodobutane
1-iodohexadecane
1-iodopentane
1-iodopropane
1-nitropropane
1-nonanol
1-octanol
1-pentene
2,2,4-trimethylpentane
2,4-dimethylpentane
2,4-dimethylpyridine
2,6-dimethylpyridine
2-bromopropane
2-chlorobutane
2-heptanone
2-hexanone
2-methoxyethanol
2-methyl-2-propanol
2-methylpentane
2-methylpyridine
2-nitropropane
2-octanone
E-2-pentene
3-methylpyridine
4-heptanone
4-methylpyridine
5-nonanone
aniline
anisole
benzaldehyde
benzonitrile
bromobenzene
bromoethane
bromoform
butanal
butanoic acid
butanonitrile
butylamine
n-butylbenzene
sec-butylbenzene
tert-butylbenzene
a-chlorotoluene
o-chlorotoluene
o-cresol
cyclopentane
cyclopentanol
cyclopentanone
decalin(cis/transmixture)
n-decane
dibromomethane
dibutyl ether
o-dichlorobenzene
E-1,2-dichloroethene
Z-1,2-dichloroethene
diethyl sulfide
diethylamine
diiodomethane
diisopropyl ether
cis-1,2-dimethylcyclohexane
dimethyl disulfide
diphenyl ether
dipropylamine
ethanethiol
ethyl methanoate
ethyl phenyl ether
ethylbenzene
n-hexadecane
hexanoic acid
iodobenzene
iodoethane
iodomethane
isopropylbenzene
p-isopropyltoluene
mesitylene
methyl benzoate
methyl butanoate
methyl-methanoate
methyl-propanoate
N-methylaniline
methylcyclohexane
N-methylformamide(E/Zmixture)
nitroethane
o-nitrotoluene
n-nonane
n-pentadecane
pentanal
pentanoic acid
pentyl ethanoate
pentylamine
perfluorobenzene
propanal
propanoic acid
propanonitrile
propyl ethanoate
propylamine
tetrachloroethene
tetrahydrothiophene-S,S-dioxide
tetralin
thiophene
thiophenol
trans-decalin
tributylphosphate
trichloroethene
triethylamine
n-undecane
xylene(mixture)
m-xylene
o-xylene
p-xylene
Exp. value
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Notes:
(1) For LFER model, free energy related experimental values are required. (e.g. log(er), log(dr)).
(2) This MLR tool is also suitable for non-LFER model construction, which depends on the experimental values you provided.