| sfr |
SFR |
SFR |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| water |
XLYOFNOQVPJJNP-UHFFFAOYSA-N |
7732-18-5 |
1.5 | 11 | 8 | 0 | 1.667 | 27.429 | 1 | 4 | 27.333 | 60.571 | 7 | 40 | 20.667 | 40.667 | 20.667 | 12.571 | 2.667 | 0.667 | -0.667 | 12.286 | 25.143 | 10 | 24 | 14.333 | | 5.714 | -1.714 | 21.429 | 10.667 | 1.75 | 1.333 |
| ammonium hydroxide |
VHUUQVKOLVNVRT-UHFFFAOYSA-N |
1336-21-6 |
131.5 | -0.167 | -4.167 | -1.5 | 7.5 | 27.571 | 2.333 | 2.5 | 2.667 | 44.286 | 1.5 | 13.071 | 5.5 | 18.333 | 3.5 | 5.214 | 2.333 | 0.333 | -0.5 | 3.071 | | -0.833 | 4.929 | 5.167 | | 2.714 | -1.786 | 0.714 | 0.833 | 0.875 | 2.333 |
| putrescine |
KIDHWZJUCRJVML-UHFFFAOYSA-N |
110-60-1 |
12.5 | 208 | -1 | -1.667 | -1 | -2 | 1.6 | 1.5 | 12 | 28 | 8.667 | 40 | 18.4 | 7 | 10.333 | 17.667 | 7.333 | 1.6 | 4 | 16.667 | 13.5 | 7.333 | 10.571 | 6.4 | | 5.667 | -0.8 | 22 | 3.667 | 1.75 | 6 |
| geranyl acetate |
HIGQPQRQIQDZMP-DHZHZOJOSA-N |
105-87-3 |
0.5 | 6.667 | -9.333 | -5 | -4.667 | 22 | 4.286 | 5.5 | 23 | 30.286 | 6.333 | 32.857 | 22.857 | 17.333 | 18.333 | 13.714 | -0.667 | 1.333 | -0.333 | 184.571 | 8 | 7.333 | 16.571 | 7 | | 7.429 | 0.286 | 12.571 | 4 | -0.25 | 0 |
| propanal |
NBBJYMSMWIIQGU-UHFFFAOYSA-N |
123-38-6 |
0.5 | 30 | 90.333 | -0.667 | 10.667 | 28 | 2.4 | 6 | 10.667 | 27.5 | 36.333 | 38 | 23.2 | 10.667 | 8.667 | 24.667 | 5 | 2 | 1.333 | 2.667 | 15.5 | 13.667 | 12.286 | 5.2 | | 5.333 | -0.8 | 7.667 | 5.333 | 3.5 | 8.667 |
| acetone |
CSCPPACGZOOCGX-UHFFFAOYSA-N |
67-64-1 |
3 | 0 | -4 | -2 | -6 | 0 | 0 | 4 | -3 | 2 | 16 | 10 | 4 | 2 | 7 | 66 | -5 | -3 | 0 | -1 | -1 | -1 | 8 | 3 | 6 | 2 | 1 | 3 | 1 | -1 | 1 |
| 2-butanone |
ZWEHNKRNPOVVGH-UHFFFAOYSA-N |
78-93-3 |
-8 | -9 | -9 | -10 | -2 | -6 | 2 | 2 | -16 | 5 | 193 | -13 | 20 | 10 | 28 | 108 | 2 | -2 | 20 | -3 | 1 | 4 | 103 | 3 | -2 | 1 | 4 | -5 | 9 | 2 | -3 |
| 6-methyl-5-hepten-2-one |
UHEPJGULSIKKTP-UHFFFAOYSA-N |
110-93-0 |
1 | 5.333 | -7.667 | -9 | -6.667 | 14.5 | 20.286 | 6.5 | 145 | 38.444 | 34.667 | 25.714 | 53.714 | 23.333 | 18.667 | 8 | 61 | 8 | 3.333 | 20.857 | 160.222 | 109.667 | 5.429 | 168.286 | | 19.714 | 2.5 | 21.714 | 20.667 | 0.25 | 4 |
| cyclohexanone |
JHIVVAPYMSGYDF-UHFFFAOYSA-N |
108-94-1 |
-1 | -2 | -9 | 108 | 10 | 0 | 9 | 4 | -2 | 18 | 21 | -3 | 26 | 116 | 4 | -2 | 9 | -1 | -1 | -3 | 0 | -3 | -3 | 7 | 0 | -3 | -1 | -5 | 8 | -1 | 1 |
| benzaldehyde |
HUMNYLRZRPPJDN-UHFFFAOYSA-N |
100-52-7 |
-0.125 | 4.167 | 3.5 | 8.5 | 3.333 | 198.875 | 24.286 | 38.25 | 7.333 | 17.056 | 9.833 | 17.714 | 48.786 | 39.5 | 85 | 9.786 | 7.667 | 0.357 | -0.333 | -9.071 | | 19.5 | 7.071 | 42.214 | | 4.571 | 8.375 | 12.214 | 93.167 | -1.25 | 2.333 |
| 2-methylphenol |
QWVGKYWNOKOFNN-UHFFFAOYSA-N |
95-48-7 |
-0.25 | 0.333 | -4.667 | -0.333 | 1.667 | 17 | 21.714 | 15.5 | 9 | 19.556 | 6 | 33.714 | 85.714 | 133.667 | 213.333 | 11.714 | 8.667 | -0.286 | 126.333 | 2.286 | 15.556 | 15 | 16 | 8.571 | | 4.286 | 3 | 11.143 | 25.667 | 1.25 | 2.333 |
| 1-octen-3-ol |
VSMOENVRRABVKN-UHFFFAOYSA-N |
3391-86-4 |
0.25 | 6 | 33 | 16.333 | 7 | 23 | 18.571 | 11 | 196.333 | 148.444 | 13 | 30.857 | 56.857 | -2 | 14 | 4.286 | 43 | 5.143 | 19.333 | 5.714 | 137.333 | 97.333 | 6.571 | 98.857 | | 26 | 3.75 | 41.143 | 15.667 | 0.5 | 1 |
| ethyl acetate |
XEKOWRVHYACXOJ-UHFFFAOYSA-N |
141-78-6 |
1.25 | 8 | -6.333 | -4.667 | -9.667 | 13.75 | 20 | 1.5 | 7.667 | 38.667 | 141.667 | 246 | 64 | 21.667 | 15 | 217.75 | 12.667 | 1.714 | 8 | 11.143 | 16 | 19.667 | 18.571 | 9.714 | | 16.25 | 0.5 | 21.429 | 21 | -0.75 | -0.667 |
| ethyl butyrate |
OBNCKNCVKJNDBV-UHFFFAOYSA-N |
105-54-4 |
1 | 0.667 | -4 | 0.667 | -8 | 16.5 | 24.857 | 3 | 30 | 228 | 226.667 | 197.25 | 192.857 | 22.333 | 31 | 43.5 | 101.333 | 8.286 | 13.333 | 4 | 46.444 | 13.667 | 42.857 | 38.571 | | 102.75 | -2 | 24 | 16.667 | 4.25 | -0.667 |
| ethyl pentanoate |
ICMAFTSLXCXHRK-UHFFFAOYSA-N |
539-82-2 |
0.75 | 7.333 | 3.667 | 68.25 | 7.333 | 10.25 | 16.286 | 4 | 155.333 | 217.333 | 13 | 41.429 | 100.857 | 16 | 20.667 | 25.25 | 30.333 | 2.286 | -1.667 | 6.857 | 156.222 | 149.333 | 20 | 67.714 | | 8.75 | 1 | 221.429 | 9 | 0.75 | 2 |
| oil |
solvent |
solvent |
1.25 | 8 | 3 | 2.333 | -1 | 22 | 0.571 | 3.5 | 18.333 | 24.222 | 1.667 | 31.714 | 11.714 | 12.667 | 6 | 16 | 3 | 2 | 1 | 7.714 | 12.222 | 7.333 | 16.857 | 6.857 | | 5.714 | 0.571 | 14 | 0 | 1.75 | 0.333 |
| phenylacetone |
QCCDLTOVEPVEJK-UHFFFAOYSA-N |
103-79-7 |
| -1 | -4 | -5 | -5 | 8 | 14 | 1 | 40 | -6 | 51 | 4 | 22 | -7 | 12 | 52 | 31 | 3 | 6 | 7 | 2 | 34 | -5 | 96 | 1 | 5 | 13 | 8 | 52 | | 1 |
| chlorine |
ZKQDCIXGCQPQNV-UHFFFAOYSA-N |
7778-54-3 |
| -14 | 16 | -4 | | 6 | 2 | -3 | 10 | -5 | -3 | -2 | -1 | -22 | -2 | -8 | 13 | 0 | 18 | -3 | 7 | -3 | 11 | -10 | 9 | 1 | 1 | 7 | -6 | | -6 |
| methyldiethanolamine |
CRVGTESFCCXCTH-UHFFFAOYSA-N |
105-59-9 |
0 | -1 | -2 | -7 | 2 | -6 | 0 | 1 | 3 | -4 | 4 | 11 | 1 | -5 | 12 | -2 | 4 | -1 | -2 | -1 | 3 | 4 | 15 | 6 | 1 | -6 | 3 | 4 | 2 | 14 | -3 |
| ethyldiethanolamine |
AKNUHUCEWALCOI-UHFFFAOYSA-O |
139-87-7 |
| 10 | -10 | 6 | | -3 | 8 | -2 | -2 | -2 | -1 | 2 | -26 | -13 | 12 | -5 | -10 | -2 | 1 | -3 | -3 | -6 | -5 | -2 | 1 | 2 | -3 | -6 | 11 | | 2 |
| diethyl phosphite |
OSPSWZSRKYCQPF-UHFFFAOYSA-N |
1809-19-4 |
| 12 | -20 | 6 | | -11 | 35 | -4 | 0 | 43 | -1 | 24 | 193 | -8 | 4 | 5 | 36 | -3 | 1 | -3 | -7 | -5 | -2 | -2 | 2 | 29 | -5 | -3 | 5 | | 8 |
| triethyl phosphite |
BDZBKCUKTQZUTL-UHFFFAOYSA-N |
122-52-1 |
0 | -1 | -2 | -6 | -2 | -10 | 6 | -1 | -8 | 13 | 22 | 6 | 66 | 5 | 4 | -12 | 19 | -2 | 0 | -7 | -6 | 20 | 33 | 6 | -4 | -9 | -1 | 8 | 4 | 10 | 3 |
| 2,3-dimethyl-2,3-dinitrobutane |
DWCLXOREGBLXTD-UHFFFAOYSA-N |
3964-18-9 |
| 13 | -7 | -4 | 6 | 2 | 5 | 0 | 0 | 1 | -34 | 2 | 1 | 9 | 3 | 6 | -9 | 3 | -7 | 5 | 0 | 4 | 1 | 2 | 2 | -7 | 8 | -6 | 12 | | -3 |
| 2-ethyl-1-hexanol |
YIWUKEYIRIRTPP-UHFFFAOYSA-N |
104-76-7 |
-4 | -9 | -1 | -6 | 4 | -7 | 17 | -2 | 18 | 9 | 13 | 8 | 178 | -3 | 12 | -8 | 15 | -3 | 26 | -2 | 14 | 6 | -5 | 8 | 0 | 5 | 6 | 24 | 5 | 0 | 8 |
| hexamine |
VKYKSIONXSXAKP-UHFFFAOYSA-N |
100-97-0 |
| -1 | -7 | 1 | -2 | 7 | 4 | -1 | -3 | 1 | -4 | -4 | 2 | -5 | 1 | -1 | 1 | -1 | 2 | -1 | 7 | -4 | -12 | 11 | 0 | -3 | -2 | 2 | 3 | | 1 |
| hydrogen peroxide |
MHAJPDPJQMAIIY-UHFFFAOYSA-N |
7722-84-1 |
-5 | -6 | 4 | 0 | 6 | -1 | 3 | 0 | -10 | 19 | 3 | -5 | 8 | -7 | -9 | 2 | 3 | 0 | 1 | -7 | -5 | -4 | 4 | -4 | 5 | -2 | 1 | 9 | 0 | -5 | -3 |
| nitric acid |
GRYLNZFGIOXLOG-UHFFFAOYSA-N |
7697-37-2 |
1 | 1 | 3 | 1 | -2 | 6 | 5 | 0 | -17 | 19 | 6 | -9 | 2 | -3 | -11 | 4 | 11 | 2 | 2 | 5 | 0 | 5 | 2 | -6 | 3 | -1 | -4 | 4 | -4 | -3 | -1 |
| nitromethane |
LYGJENNIWJXYER-UHFFFAOYSA-N |
75-52-5 |
| -16 | -5 | 0 | -1 | 1 | -2 | 3 | 4 | -15 | 60 | 8 | 5 | -9 | 8 | 19 | -4 | -1 | 7 | 5 | 4 | -10 | -4 | 4 | -3 | 14 | 3 | 3 | -2 | | 2 |
| acetic anhydride |
WFDIJRYMOXRFFG-UHFFFAOYSA-N |
108-24-7 |
| 90 | -4 | 10 | -4 | 15 | 12 | 3 | -6 | 5 | -4 | 2 | 13 | 10 | -6 | 3 | 15 | 7 | 3 | 3 | 3 | 2 | -2 | 7 | -3 | -5 | 2 | 10 | -5 | | 1 |
| formamide |
ZHNUHDYFZUAESO-UHFFFAOYSA-N |
75-12-7 |
-4 | -9 | 0 | -6 | 0 | 7 | 0 | 0 | -5 | 3 | 3 | -8 | -6 | -5 | -8 | 0 | 6 | 0 | 1 | -7 | -1 | -6 | -1 | -3 | 2 | 1 | -3 | -4 | -8 | -8 | -1 |
| 1-phenyl-2-nitropropene |
WGSVFWFSJDAYBM-BQYQJAHWSA-N |
705-60-2 |
| 11 | 3 | 1 | 1 | 3 | 5 | 0 | 2 | -4 | -13 | -2 | 7 | 13 | -2 | -3 | -1 | 3 | -3 | 2 | 8 | -3 | -2 | -2 | 0 | -7 | 5 | 0 | 0 | | -3 |
| safrole |
ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
94-59-7 |
| 2 | 2 | -2 | -7 | 8 | 4 | 1 | -3 | -10 | 7 | 0 | 7 | -3 | -5 | 4 | 12 | 8 | 24 | 3 | 1 | -7 | -10 | 4 | 1 | -2 | 0 | 9 | 7 | | -1 |
| diazinon |
FHIVAFMUCKRCQO-UHFFFAOYSA-N |
333-41-5 |
| 34 | -8 | 24 | | 35 | 18 | -1 | 6 | 8 | -1 | 18 | 23 | 3 | -14 | -1 | 21 | 2 | -9 | 4 | 9 | 1 | 4 | 2 | -1 | -2 | -3 | 4 | -6 | | -2 |
| endosulfan |
RDYMFSUJUZBWLH-UHFFFAOYSA-N |
115-29-7 |
| 14 | -4 | 34 | | 26 | 28 | 0 | -4 | 11 | 0 | 15 | 24 | 15 | -18 | -23 | 2 | 1 | -3 | -9 | -4 | -3 | -3 | 6 | 6 | -6 | 4 | -3 | -17 | | -6 |
| potassium perchlorate |
YLMGFJXSLBMXHK-UHFFFAOYSA-M |
7778-74-7 |
| 0 | 6 | 6 | | 9 | -9 | -1 | 2 | 20 | 4 | -13 | -7 | -6 | -10 | -3 | -1 | 3 | -1 | 11 | 1 | -5 | 6 | -6 | 7 | 1 | -5 | 3 | -7 | | 2 |
| sodium perchlorate |
BAZAXWOYCMUHIX-UHFFFAOYSA-M |
7601-89-0 |
| -4 | 12 | -22 | | 11 | 5 | -5 | 0 | 11 | -1 | -13 | -5 | 7 | -12 | 9 | 6 | -1 | -1 | 1 | 4 | -5 | 5 | -16 | 5 | 3 | -7 | 5 | -9 | | 4 |
| sulfur |
RWSOTUBLDIXVET-UHFFFAOYSA-N |
7704-34-9 |
2 | -1 | 3 | -5 | 2 | -10 | -1 | -1 | -4 | 10 | 1 | 2 | -5 | -7 | -1 | -21 | 2 | -2 | -2 | 15 | -3 | 0 | 2 | 12 | 0 | -11 | -3 | 11 | -2 | 0 | 1 |
| cyclotrimethylenetrinitramine |
XTFIVUDBNACUBN-UHFFFAOYSA-N |
121-82-4 |
| 28 | -4 | 24 | | 23 | 6 | -5 | -10 | -3 | -5 | 15 | 17 | 3 | -8 | -24 | -6 | 3 | -5 | 7 | 7 | -4 | 1 | -2 | 13 | -7 | -1 | 4 | -11 | | 2 |
| hexamethylene triperoxide-diamine |
HMWPNDNFTFSCEB-UHFFFAOYSA-N |
283-66-9 |
| 5 | 1 | 7 | -4 | 0 | 14 | 4 | 0 | -1 | -10 | 0 | 5 | 12 | 1 | -8 | 0 | 4 | -4 | 3 | -4 | -4 | 0 | 5 | 4 | -9 | -2 | -7 | -4 | | -7 |
| nitroglycerin |
SNIOPGDIGTZGOP-UHFFFAOYSA-N |
55-63-0 |
| 30 | 0 | 20 | | 29 | 15 | 16 | -4 | 5 | -5 | 12 | 23 | 1 | 8 | 3 | 2 | 1 | -5 | 5 | 2 | -4 | -3 | 0 | 12 | -12 | 1 | 5 | -4 | | -4 |
| pentaerythritol tetranitrate |
TZRXHJWUDPFEEY-UHFFFAOYSA-N |
78-11-5 |
| 18 | -12 | 16 | | 53 | 8 | 0 | -10 | 1 | -8 | 24 | 22 | -7 | -8 | 5 | 0 | 4 | 0 | 13 | 7 | -5 | -3 | 2 | 19 | 2 | 1 | 5 | -10 | | -8 |
| triacetone triperoxide |
ZTLXICJMNFREPA-UHFFFAOYSA-N |
17088-37-8 |
| 6 | -9 | -1 | -1 | -1 | 11 | 0 | 2 | 0 | -4 | 0 | 5 | 17 | -4 | 4 | 4 | 4 | -4 | 3 | 4 | 5 | 9 | 0 | 2 | -4 | 4 | -10 | -8 | | -5 |
| 2,4,6-trinitrotoluene |
SPSSULHKWOKEEL-UHFFFAOYSA-N |
118-96-7 |
| 16 | -4 | 30 | | 30 | 3 | -5 | -10 | 3 | -7 | 11 | 15 | -10 | -12 | 5 | 2 | 4 | -1 | -7 | -1 | -2 | 3 | 4 | 9 | 0 | 0 | 3 | -1 | | -12 |