Deuterated and Other NMR Solvents
| Compound (Formula, Mol. Wt.) | d20 | m.p.a | b.p.a | delta H (mult, JHD) | water peak | delta C (mult, JCD(CF)) | Susc. -Chi*10e6 | Dielectr. const. |
| Acetic Acid-d4 (C2D4O2, 64.078) | 1.049 | 16.7 | 117.9 | 11.53(1) 2.03(5, 2.0) | 11.53 | 178.4(br) 20.0(7, 20) | 0.551(32°) | 6.1 |
| Acetone-d6 (C3D6O, 64.117) | 0.790 | -94.7 | 56.3 | 2.04(5, 2.2) | 2.84, 2.81 (HOD) | 206.0(13, 0.9) 29.8(7, 20) | 0.460 | 20.7 |
| Acetonitrile-d3 (C2D3N, 44.071) | 0.777 | -44 | 81.6 | 1.93(5, 2.5) | 2.12 | 118.2(br) 1.3(7, 21) | 0.534 | 37.5 |
| Benzene-d6 (C6D6, 84.152) | 0.879 | 5.5 | 80.1 | 7.15(br) | 0.4 | 128.0(3, 24) | 0.699 | 2.3 |
| Carbondisulfide (CS2, 76.1) | 1.270 | -111.6 | 46.2 | - | 192.8 | 0.532 | 2.6 | |
| Chloroform-d (CDCl3, 120.384) | 1.480 | -63.5 | 61.1 | 7.24(1) | 1.55 | 77.0(3, 32) | 0.740 | 4.8 |
| Cyclohexane-d12 (C6D12, 96.236) | 0.774 | 6.6 | 80.7 | 1.38(br) | 0.80 (HDO) | 26.4(5, 19) | 0.627 | 2.0 |
| Deuterium Oxide (D2O, 20.028) | 1.11 | 3.8 | 101.4 | 4.72 | - | 0.719 | 78.5 | |
| 1,2-Dichloroethane-d4 (C2D4Cl2, 102.985) | 1.25 | -40 | 84 | 3.72(br) | 43.6(5, 23.5) | 10.4 | ||
| Diethylether-d10 (C4D10O, 84.185) | 0.82 | -116 | 35 | 3.34(m) 1.07(m) | 65.3(5, 21) 14.5(7, 19) | 4.3 | ||
| Bis(2-methoxyethyl) ether, Diglyme-d14 (C6D14O3, 148.263) | 0.95 | -68 | 162 | 3.49(br) 3.40(br) 3.22(5, 1.5) | 70.7(5, 21) 70.0(5, 21) 57.7(7, 21) | |||
| Dimethylether-d6 (C2D6O, 52.105) | gas | -138 | -24.9 | 3.24 | ||||
| Dimethylformamide-d7, DMF (C3D7NO, 80.138) | 1.04 | -61 | 153 | 8.01(br) 2.91(5, 2) 2.74(5, 2) | 3.45 | 162.7(3, 30) 35.2(7, 21) 30.1(7, 21) | 36.7 | |
| Dimethyl-d6 Sulphoxide, DMSO (C2D6SO, 84.170) | 1.18 | 18 | 189 | 2.49(5, 1.7) | 3.30 | 39.5(7, 21) | 46.7 | |
| p-Dioxane-d4 (C4D8O2, 96.156) | 1.13 | 12 | 101 | 3.53(m) | 2.4 (HDO) | 66.5(5, 22) | 0.606(32°) | 2.2 |
| Ethyl Alcohol-d6 (C2D6O, 52.106) | 0.91 | <-130 | 79 | 5.19(1) 3.55(br) 1.11(m) | 5.19 | 56.8(5, 22) 17.2(7, 19) | 0.575 | 24.5 |
| 1,2-Dimethoxyethane-d10, Glyme (C4D10O2, 100.184) | 0.86 | -58 | 83 | 3.40(m) 3.22(5, 1.6) | 71.7(5, 21) 57.8(7, 21) | |||
| Hexafluoroacetone sesquihydrate (C3D3F6O2.5, 196.063) | 1.71 | -129 | -28 | 5.26(1) | 122.5(4, 287) 92.9(7, 34.5) | |||
| Hexamethyl phosphoric acid triamide, HMPT-d18 (C6D18N3PO, 197.314) | 1.14 | 7 | 106 | 2.52(2x5, 2(9.5)) | 35.8(7, 21) | 30.0 | ||
| Methyl Alcohol-d4 (CD4O, 36.067) | 0.89 | -98 | 65 | 4.78(1) 3.30(5, 1.7) | 4.85 | 49.0(7, 21.5) | 0.530 | 32.7 |
| Methylene Chloride-d2 (CD2Cl2, 86.945) | 1.35 | -95 | 40 | 5.32(3, 1) | 1.52 | 53.8(5, 27) | 0.733 | 8.9 |
| Nitrobenzene-d5 (C6D5NO2, 128.143) | 1.25 | 6 | 211 | 8.11(br) 7.67(br) 7.50(br) | 2.42 | 148.6(1) 134.8(3, 24.5(p)) 129.5(3, 25) 123.5(3, 26) | ||
| Nitromethane-d3 (CD3NO2, 64.059) | 1.20 | -29 | 101 | 4.33(5, 2) | 2.20 | 62.8(7, 22) | 0.391(25°) | 35.9 |
| iso Propyl Alcohol-d6 (C3D8O, 68.146) | 0.90 | -86 | 83 | 5.12(1) 3.89(br) 1.10(br) | 62.9(3, 21.5) 24.2(7, 19) | |||
| Pyridine-d5 (C5D5N, 84.133) | 1.05 | -42 | 116 | 8.71(br) 7.55(br) 7.19(br) | 4.95 | 149.9(3, 21.5) 135.5(3, 24.5) 123.5(3, 25) | 0.611 | 12.4 |
| Tetrahydrofuran-d4, THF (C4D8O, 80.157) | 0.99 | -109 | 66 | 3.58(br) 1.73(br) | 2.45 | 67.4(5, 22) 25.3(br, 20.5) | 7.6 | |
| Toluene-d8 (C7D8, 100.191) | 0.94 | -95 | 111 | 7.09(m) 7.00(br) 6.98(m) 2.09(5, 2.3) | 0.5 | 137.5(1) 128.9(3, 23) 128.0(3, 24) 125.2(3, 24(p)) 20.4(7, 19) | 0.618 | 2.4 |
| Trifluoroacetic Acid-d (C2DF3O2, 115.030) | 1.50 | -15 | 72 | 11.50(1) | 11.50 | 164.2(4, 44) 116.6(4, 283) | ||
| 2,2,2-Trifluoroethyl Alcohol-d3 (C2F3D3O, 103.059) | 1.45 | -44 | 75 | 5.02(1) 3.88(4x3, 2(9) | 5.02 | 126.3(4, 277) 61.5(4x5, 22, 36) |
a)Melting and boiling points (in C) are those of the corresponding protonated compound (except for D2O) and are intended only to indicate the useful liquid range of the materials.
A useful online molecular mass calculator at the BioMagResBank.
Data sources: