JME 2016-11-13 Tue Jun 06 14:25:42 GMT+300 2017 8 7 0 0 0 0 0 0 0 0999 V2000 4.8498 1.4000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > 1,2-Dibromo-3,3,3-trifluoropropane > 2,3-Dibromo-1,1,1-trifluoropropane > 292 > 1kg- 374 > 2880 > 500 > 431-21-0 > C3H3Br2F3 > 255.86 > 97%min > > 115-116 > none > 2,121 > 1,4285-1,4300 $$$$ JME 2017-02-26 Wed Mar 25 11:01:11 GMT+300 2020 50 49 0 0 0 0 0 0 0 0999 V2000 1.4000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 3.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 5.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 5.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1999 6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8999 7.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2999 7.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9999 8.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3998 8.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9999 10.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 9.3746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5124 6.7621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2999 6.0621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8999 8.8620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 8.1620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4124 5.5497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1999 4.8497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 7.6497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 6.9497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3124 4.3373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 3.6373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 6.4373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 5.7373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 3.1249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 2.4249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 5.2249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 4.5249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 1.9124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 1.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 3.3124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.0998 9.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4998 9.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 11.0995 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 8.6746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.8999 9.8871 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.4287 7.2749 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.5936 7.9433 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.0754 11.2868 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.9197 10.6401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 14 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 42 49 1 0 0 0 0 42 50 1 0 0 0 0 M END > 1,16-Dichloroperfluorohexadecane > > 1155 > 250g - 1684 > 500 > 50 > 1555-20-0 > C16Cl2F32 > 871.03 > 97% > 140 > > > > $$$$ JME 2016-11-13 Tue Jun 06 14:39:42 GMT+300 2017 26 25 0 0 0 0 0 0 0 0999 V2000 9.0999 5.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 5.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 3.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 3.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 3.3124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0123 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 1.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 1.9124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 4.5249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 5.2249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.4249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 3.1249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4874 5.7373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 6.4373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 3.8248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 6.2497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 5.0373 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 2.6114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 0.1865 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3986 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 M END > 1,8-Dichloroperfluorooctane > > 308 > 100g - 990 > 120 > 50 > 647-25-6 > C8Cl2F16 > 470.97 > 97% > > 156-159 > > 1,738 > 1,3121 $$$$ JME 2016-11-13 Tue Jun 06 14:56:21 GMT+300 2017 14 13 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 0.1934 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 0.2119 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0535 3.3509 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6487 3.2651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 M END > 1,4-Diiodooctafluorobutane > > 340 > 100g -534; 250g - 748 > 760 > 100 > 375-50-8 > C4F8I2 > 453.84 > 97% > > 85/100mm Hg > > 2,487 > $$$$ JME 2016-11-13 Tue Jun 06 16:09:17 GMT+300 2017 5 4 0 0 0 0 0 0 0 0999 V2000 4.2000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END > 1-Fluorobutane > n-Butyl fluoride > 402 > 100g - 562; 250g - 787 > 690 > 10 > 2366-52-1 > C4H9F > 76.11 > 97% > > 32-33 > > 0,7735 > 1,341-1,346 $$$$ JME 2016-11-13 Wed Jun 07 11:43:05 GMT+300 2017 11 10 0 0 0 0 0 0 0 0999 V2000 2.4249 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.3089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 0.0227 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.2089 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.3089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.6089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 M END > Heptafluoro-1-iodopropane > 1-Iodoheptafluoropropane; n-Heptafluoropropyl iodide; Perfluoropropyl iodide > 452 > 500g - 1454; 1kg - 1890 > 2314 > 50 > 754-34-7 > C3F7I > 295.93 > 95%min > -95 > 40-41 > none > 2,056 > 1,3270-1,3281 $$$$ JME 2016-11-13 Wed Jun 07 11:44:07 GMT+300 2017 11 10 0 0 0 0 0 0 0 0999 V2000 2.4249 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.3089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 0.0227 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.2089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.3089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.6089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 M END > Heptafluoro-2-iodopropane > 2-Iodoheptafluoropropane; Heptafluoroisopropyl iodide; Perfluoro-2-iodopropane; Freon 217i-1 > 453 > 1kg - 550 > 0 > 300 > 677-69-0 > C3F7I > 295.93 > 99% > -56 > 39-40 > none > 2,077 > 1,3283-1,3300 $$$$ JME 2016-11-13 Wed Jun 07 13:25:57 GMT+300 2017 8 7 0 0 0 0 0 0 0 0999 V2000 1.4000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.4249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 M END > Iodopentafluoroethane > Pentafluoroethyl iodide > 527 > 1kg - 765 > 0 > 200 > 354-64-3 > C2F5I > 245.92 > 98%min > > 12-13 > none > 2,08 > 1,339 $$$$ OpenBabel07191620202D 23 22 0 0 0 0 0 0 0 0999 V2000 1.0000 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 2.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 3.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 3.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 3.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 3.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 2.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 M END > 1-Iodoperfluoroheptane > 1-iodo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane > 1742 > 1kg - 3320 > 2780 > 50 > 335-58-0 > C7F15I > 495.95 > 96% > -8 > 137-138 > none > 2,01 > 1,328-1,339 $$$$ JME 2016-11-13 Wed Jun 07 14:52:39 GMT+300 2017 6 5 0 0 0 0 0 0 0 0999 V2000 3.5000 2.4248 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > 2-Iodo-1,1,1-trifluoroethane > 2,2,2-Trifluoroethyl iodide > 575 > 1kg - 490 > 10910 > 200 > 353-83-3 > C2H2F3I > 209.94 > 97%min > > 55-56 > none > 2,142 > 1,3991-1,4009 $$$$ JME 2016-11-13 Tue Jun 13 11:31:10 GMT+300 2017 5 4 0 0 0 0 0 0 0 0999 V2000 2.6124 0.5124 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > Iodotrifluoromethane > Trifluoromethyl iodide > 1083 > 1kg - 1878 > 8360 > 100 > 2314-97-8 > CF3I > 195.91 > 98%min > <-78 > -22 > none > 2,3608, t=-42 > 1,379 $$$$ JME 2016-11-13 Wed Jun 07 14:55:43 GMT+300 2017 7 6 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 M END > 1-Iodo-3,3,3-trifluoropropane > 3,3,3-Trifluoropropyl iodide; 3-Iodo-1,1,1-trifluoropropane > 579 > 1kg - 1579 > 180 > 50 > 460-37-7 > C3H4F3I > 223.96 > 97%min > > 89-90 > >110 > 1,911 > 1,4200-1,4227 $$$$ JME 2016-11-13 Thu Jun 08 11:23:37 GMT+300 2017 28 29 0 0 0 0 0 0 0 0999 V2000 3.8967 0.6672 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 1.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 3.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 4.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 3.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 4.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 3.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 1.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9757 0.7026 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 1.9196 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 3.3248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9757 4.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 5.2444 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 5.2444 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 4.7300 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 5.2444 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 5.2444 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 4.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9196 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 0.7026 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > cis/trans-Perfluorodecalin > Octadecafluorodecahydronaphthalene > 763 > 1kg - 550 > 10780 > 200 > 306-94-5 > C10F18 > 462.08 > 99% > 2-4 > 141-142 > none > 1,906 > 1,314-1,316 $$$$ JME 2016-11-13 Tue Jun 13 14:36:19 GMT+300 2017 50 49 0 0 0 0 0 0 0 0999 V2000 1.4000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 3.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 3.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 5.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 5.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1999 6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8999 7.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2999 7.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9999 8.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3998 8.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9999 10.0746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 9.3746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5124 6.7621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2999 6.0621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8999 8.8620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 8.1620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4124 5.5497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1999 4.8497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 7.6497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 6.9497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3124 4.3373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0999 3.6373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 6.4373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 5.7373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 3.1249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 2.4249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 5.2249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 4.5249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 1.9124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 1.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 3.3124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.0998 9.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4998 9.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 11.0995 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 8.6746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.8999 9.8871 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.4287 7.2749 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.5936 7.9433 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.0754 11.2868 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.9197 10.6401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 14 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 42 49 1 0 0 0 0 42 50 1 0 0 0 0 M END > Perfluorohexadecane > > 1156 > 1kg - 1670 > 0 > 50 > 355-49-7 > C16F34 > 838.12 > 97% > 116-120 > 239-240 > > 1,856 > $$$$ OpenBabel07111612402D 44 43 0 0 0 0 0 0 0 0999 V2000 0.3660 -1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 1.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 1.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 2.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 2.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 3.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 4.3301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 4.8301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 4.8301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 4.3301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7321 2.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 1.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 3.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 1.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 1.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 3.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 0.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 0.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -0.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.6340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > Perfluorotetradecane > > 1638 > 1kg - 1528 > 35 > 25 > 307-62-0 > C14F30 > 738.11 > 97% > 78-80 > 98-99/13 mm Hg > > > $$$$