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Biography 1. Solvent Polarity Table

2. pKa Compilation
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3. NMR Chemical Shifts of Common Laboratory Solvents as
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Notre Dame Properties of Organic Solvents

NMR
The values in the table below except as noted have been extracted from
Webfile online and hardbound compilations . Values for relative polarity, eluant
InsideND strength, threshold limits and vapor pressure have been extracted from:
Christian Reichardt, Solvents and Solvent Effects in Organic Chemistry,
Contact me Wiley-VCH Publishers, 3rd ed., 2003.   For Spectra of Solvents , jump
to the bottom of this p http://murov.info/webercises.htm age.  For
Please sent an Email . an Organic Chemistry Directory, see:  http://murov.info
/orgchem.htm .
For a Chemistry Directory, see:   http://murov.info
/webercises.htm
For much more complete information on physical and safety properties of
solvents, please go to:
http://www.knovel.com/web/portal/browse
/display?_EXT_KNOVEL_DISPLAY_bookid=761  
http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp  
The tables below were posted (10/23/98) and revised (07/28/09) and
updated (04/10/10) by Steve Murov, Professor Emeritus of Chemistry.

  Table 1 arranged alphabetically , Table 2 arranged according

to increasing polarity

TABLE 1

Solvent formula boiling melting density  solubility

point point (g/mL) in
(oC) (oC)   (

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acetic acid C2H4O2 118 16.6 1.049 M

acetone C 3H 6O 56.2 -94.3 0.786 M
acetonitrile C 2H 3N 81.6 -46 0.786 M
acetyl acetone C5H8O2 140.4 -23 0.975 16
2-aminoethanol C2H7NO 170.9 10.5 1.018 M
aniline C 6H 7N 184.4 -6.0 1.022 3.4
anisole C 7H 8O 153.7 -37.5 0.996 0.10
benzene C 6H 6 80.1 5.5 0.879 0.18
benzonitrile C 7H 5N 205 -13 0.996 0.2
benzyl alcohol C 7H 8O 205.4 -15.3 1.042 3.5
1-butanol C4H10O 117.6 -89.5 0.81 7.7

2-butanol C4H10O 99.5 -114.7 0.808 18.1

i-butanol C4H10O 107.9 -108.2 0.803 8.5
2-butanone C 4H 8O 79.6 -86.3 0.805 25.6
t-butyl alcohol C4H10O 82.2 25.5 0.786 M
carbon disulfide CS2 46.3 -111.6 1.263 0.2
carbon tetrachloride CCl4 76.7 -22.4 1.594 0.08
chlorobenzene C6H5Cl 132 -45.6 1.106 0.05
chloroform CHCl3 61.2 -63.5 1.498 0.8
cyclohexane C6H12 80.7 6.6 0.779 0.005
cyclohexanol C6H12O 161.1 25.2 0.962 4.2
cyclohexanone C6H10O 155.6 -16.4 0.948 2.3
di-n-butylphthalate C16H22O4 340 -35 1.049 0.0011
1,1-dichloroethane C2H4Cl2 57.3 -97.0 1.176 0.5
diethylene glycol C4H10O3 245 -10 1.118 M
diglyme C6H14O3 162 -64 0.945 M
dimethoxyethane C4H10O2 85 -58 0.868 M
(glyme)
N,N-dimethylaniline C8H11N 194.2 2.4 0.956 0.14
dimethylformamide C3H7NO 153 -61 0.944 M
(DMF)
dimethylphthalate C10H10O4 283.8 1 1.190 0.43
dimethylsulfoxide C2H6OS 189 18.4 1.092 M
(DMSO)
dioxane C4H8O2 101.1 11.8 1.033 M
ethanol C 2H 6O 78.5 -114.1 0.789 M
ether C4H10O 34.6 -116.3 0.713 7.5
ethyl acetate C4H8O2 77 -83.6 0.894 8.7
ethyl acetoacetate C6H10O3 180.4 -80 1.028 2.9

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ethyl benzoate C9H10O2 213 -34.6 1.047 0.07

ethylene glycol C2H6O2 197 -13 1.115 M
glycerin C3H8O3 290 17.8 1.261 M
heptane C7H16 98 -90.6 0.684 0.0003
1-heptanol C7H16O 176.4 -35 0.819 0.17
hexane C6H14 69 -95 0.655 0.0014
1-hexanol C6H14O 158 -46.7 0.814 0.59
methanol CH4O 64.6 -98 0.791 M
methyl acetate C3H6O2 56.9 -98.1 0.933 24.4
methyl t-butyl ether C5H12O 55.2 -109 0.741 4.8
(MTBE)
methylene chloride CH2Cl2 39.8 -96.7 1.326 1.32
1-octanol C8H18O 194.4 -15 0.827 0.096
pentane C5H12 36.1 -129.7 0.626 0.004
1-pentanol C5H12O 138.0 -78.2 0.814 2.2
2-pentanol C5H12O 119.0 -50 0.810 4.5
3-pentanol C5H12O 115.3 -8 0.821 5.1
2-pentanone C5H10O 102.3 -76.9 0.809 4.3
3-pentanone C5H12O 101.7 -39.8 0.814 3.4
1-propanol C 3H 8O 97 -126 0.803 M
2-propanol C 3H 8O 82.4 -88.5 0.785 M
pyridine C 5H 5N 115.5 -42 0.982 M
tetrahydrofuran(THF) C 4H 8O 66 -108.4 0.886 30
toluene C 7H 8 110.6 -93 0.867 0.05
water H 2O 100.00 0.00 0.998 M
water, heavy D 2O 101.3 4 1.107 M
p-xylene C8H10 138.3 13.3 0.861 0.02

1 M = miscible.
2 The values for relative polarity are normalized from measurements
of solvent shifts of absorption spectra and were
extracted from Christian Reichardt, Solvents and Solvent Effects in
Organic Chemistry, Wiley-VCH Publishers, 3rd ed., 2003.
3 Snyder's empirical eluant strength parameter for alumina. Extracted
from Reichardt, page 495.
4 Threshold limits for exposure. Extracted from Reichardt, pages
501-502.

TABLE 2

Solvent formula boiling melting density  solubility

point point (g/mL) in H

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(oC) (oC)   (g/100g)

cyclohexane C6H12 80.7 6.6 0.779 0.005

pentane C5H12 36.1 -129.7 0.626 0.0039
hexane C6H14 69 -95 0.655 0.0014
heptane C7H16 98 -90.6 0.684 0.0003
carbon tetrachloride CCl4 76.7 -22.4 1.594 0.08
carbon disulfide CS2 46.3 -111.6 1.263 0.2
p-xylene C8H10 138.3 13.3 0.861 0.02
toluene C 7H 8 110.6 -93 0.867 0.05
benzene C 6H 6 80.1 5.5 0.879 0.18
ether C4H10O 34.6 -116.3 0.713 7.5
methyl t-butyl ether C5H12O 55.2 -109 0.741 4.8
(MTBE)
diethylamine C4H11N 56.3 -48 0.706 M
dioxane  C4H8O2 101.1 11.8 1.033 M
N,N-dimethylaniline C8H11N 194.2 2.4 0.956 0.14
chlorobenzene C6H5Cl 132 -45.6 1.106 0.05
anisole C 7H 8O 153.7 -37.5 0.996 0.10
tetrahydrofuran  (THF) C 4H 8O 66 -108.4 0.886 30
ethyl acetate C4H8O2 77 -83.6 0.894 8.7
ethyl benzoate C9H10O2 213 -34.6 1.047 0.07
dimethoxyethane C4H10O2 85 -58 0.868 M
(glyme)
diglyme C6H14O3 162 -64 0.945 M
methyl acetate C3H6O2 56.9 -98.1 0.933 24.4
chloroform  CHCl3 61.2 -63.5 1.498 0.8
3-pentanone C5H12O 101.7 -39.8 0.814 3.4
1,1-dichloroethane C2H4Cl2 57.3 -97.0 1.176 0.5
di-n-butyl phthalate C16H22O4 340 -35 1.049 0.0011
cyclohexanone C6H10O 155.6 -16.4 0.948 2.3
pyridine C 5H 5N 115.5 -42 0.982 M
dimethylphthalate C10H10O4 283.8 1 1.190 0.43
methylene chloride CH2Cl2 39.8 -96.7 1.326 1.32
2-pentanone C5H10O 102.3 -76.9 0.809 4.3
2-butanone C 4H 8O 79.6 -86.3 0.805 25.6
1,2-dichloroethane C2H4Cl2 83.5 -35.4 1.235 0.87
benzonitrile C 7H 5N 205 -13 0.996 0.2
acetone C 3H 6O 56.2 -94.3 0.786 M

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dimethylformamide C3H7NO 153 -61 0.944 M

(DMF)
t-butyl alcohol  C4H10O 82.2 25.5 0.786 M
aniline C 6H 7N 184.4 -6.0 1.022 3.4
dimethylsulfoxide C2H6OS 189 18.4 1.092 M
(DMSO)
acetonitrile C 2H 3N 81.6 -46 0.786 M
3-pentanol C5H12O 115.3 -8 0.821 5.1
2-pentanol C5H12O 119.0 -50 0.810 4.5
2-butanol C4H10O 99.5 -114.7 0.808 18.1
cyclohexanol C6H12O 161.1 25.2 0.962 4.2
1-octanol C8H18O 194.4 -15 0.827 0.096
2-propanol C 3H 8O 82.4 -88.5 0.785 M
1-heptanol C7H16O 176.4 -35 0.819 0.17
i-butanol C4H10O 107.9 -108.2 0.803 8.5
1-hexanol C6H14O 158 -46.7 0.814 0.59
1-pentanol C5H12O 138.0 -78.2 0.814 2.2
acetyl acetone C5H8O2 140.4 -23 0.975 16
ethyl acetoacetate C6H10O3 180.4 -80 1.028 2.9
1-butanol C4H10O 117.6 -89.5 0.81 7.7
benzyl alcohol C 7H 8O 205.4 -15.3 1.042 3.5
1-propanol C 3H 8O 97 -126 0.803 M
acetic acid C2H4O2 118 16.6 1.049 M
2-aminoethanol C2H7NO 170.9 10.5 1.018 M
ethanol  C 2H 6O 78.5 -114.1 0.789 M
diethylene glycol C4H10O3 245 -10 1.118 M
methanol CH4O 64.6 -98 0.791 M
ethylene glycol  C2H6O2 197 -13 1.115 M
glycerin C3H8O3 290 17.8 1.261 M
water, heavy  D 2O 101.3 4 1.107 M
water H 2O 100.00 0.00 0.998 M

Spectra (of solvents and other compounds)

1. ir, nmr, mass spectra

Aldrich - http://www.sigmaaldrich.com/
NIMC site - http://riodb01.ibase.aist.go.jp/sdbs/cgi-
bin/cre_index.cgi?lang=eng
RSC - http://www.rsc.org/education/teachers/learnnet/spectra
/index2.htm

2. ir, mass spectra, uv-vis

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NIST site - http://webbook.nist.gov/chemistry/

3. ir
Acros - http://www.acros.com/portal/alias__Rainbow/lang__en
/tabID__21/DesktopDefault.aspx
ChemExper Chem Directory - http://www.chemexper.com/

4. nmr
human metabolites - http://hmdb.ca/ (also some mass spectra)
bioorganics - http://mmcd.nmrfam.wisc.edu/mmcdbrowse.html
Solvents - http://www.alsnotebook.com/chlorformtraces.html

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