构造链烷烃沸点的构效关系（QSPR）1. 搜集超过100个的烷烃的相关性质见附件1(所有数据来自nist)2. 选取沸点与物质的分子量构造相关关系化合物 英文名沸点（K）分子量CH41 111.00 16.04 C2H62 184.60 30.07 C3H83 231.10 44.10 C4H104 262.00 58.12 5Isobutane262.00 58.12 C5H126 309.20 72.15 7Butane, 2-methyl-301.10 72.15 8Neopentane282.60 72.15 C6H149 341.90 86.18 10Butane, 2,3-dimethyl-331.20 86.18 11Pentane, 2-methyl-334.00 86.18 12Butane, 2,2-dimethyl-322.90 86.18 13Pentane, 3-methyl-336.40 86.18 C7H16141.Heptane 371.50 100.20 152.Hexane, 2-methyl-363.20 100.20 163.Pentane, 2,4-dimethyl- 353.70 100.20 174.Pentane, 2,2-dimethyl-352.30 100.20 185.Pentane, 2,3-dimethyl-362.90 100.20 196.Hexane, 3-methyl-365.00 100.20 207.Butane, 2,2,3-trimethyl- 354.10 100.20 218.Pentane, 3,3-dimethyl-359.20 100.20 229.Pentane, 3-ethyl- 366.60 100.20 C8H18231.Pentane, 2,2,4-trimethyl- 372.40 114.23 242.Heptane, 2-methyl- 390.70 114.23 253.Heptane, 3-methyl- 392.00 114.23 264.Pentane, 2,3,4-trimethyl- 386.80 114.23 275.Heptane, 4-methyl- 390.90 114.23 286.Octane398.70 114.23 297.Hexane, 2,5-dimethyl-382.10 114.23 308.Hexane, 2,3-dimethyl- 389.00 114.23 319.Hexane, 2,4-dimethyl-382.00 114.23 3210.Hexane, 3,4-dimethyl-391.00 114.23 3311.Hexane, 2,2-dimethyl- 380.00 114.23 3412.Hexane, 3,3-dimethyl-385.10 114.23 3513.Hexane, 3-ethyl-391.70 114.23 3614.Pentane, 3-ethyl-2-methyl-388.80 114.23 3715.Pentane, 2,2,3-trimethyl-383.10 114.23 3816.Pentane, 2,3,3-trimethyl-387.80 114.23 3917.Butane, 2,2,3,3-tetramethyl- 379.60 114.23 4018.Pentane, 3-ethyl-3-methyl-391.50 114.23 C9H2041Nonane423.80 128.26 42Octane, 2-methyl-416.10 128.26 43Hexane, 2,2,5-trimethyl-397.00 128.26 44Octane, 3-methyl-417.00 128.26 45Octane, 4-methyl-415.00 128.26 46Heptane, 2,4-dimethyl-406.00 128.26 47Heptane, 2,2-dimethyl-405.00 128.26 48Pentane, 3,3-diethyl-419.30 128.26 49Pentane, 2,2,4,4-tetramethyl-395.40 128.26 50Hexane, 2,3,5-trimethyl-404.00 128.26 51Hexane, 2,2,4-trimethyl-399.60 128.26 52Heptane, 2,3-dimethyl-413.00 128.26 53Heptane, 2,5-dimethyl-408.00 128.26 54Heptane, 2,6-dimethyl-408.00 128.26 55Heptane, 3,3-dimethyl-410.00 128.26 56Hexane, 2,2,3-trimethyl-406.55 128.26 57Pentane, 2,2,3,3-tetramethyl-413.42 128.26 58Heptane, 3-ethyl-416.75 128.26 59Pentane, 2,2,3,4-tetramethyl-406.15 128.26 60Heptane, 3,4-dimethyl-413.80 128.26 61Heptane, 4-ethyl-414.35 128.26 62Hexane, 2,4,4-trimethyl-404.00 128.26 63Hexane, 2,3,4-trimethyl-412.00 128.26 64Heptane, 3,5-dimethyl-409.15 128.26 65Heptane, 4,4-dimethyl-408.40 128.26 66Hexane, 2,3,3-trimethyl-410.75 128.26 67Pentane, 2,3,3,4-tetramethyl-413.00 128.26 68Pentane, 3-ethyl-2,4-dimethyl-409.81 128.26 69Hexane, 3,3,4-trimethyl-413.57 128.26 70Pentane, 3-ethyl-2,2-dimethyl-406.96 128.26 71Hexane, 4-ethyl-2-methyl-406.95 128.26 72Hexane, 3-ethyl-3-methyl-413.75 128.26 73Hexane, 3-ethyl-2-methyl-411.15 128.26 74Hexane, 3-ethyl-4-methyl-413.55 128.26 75Pentane, 3-ethyl-2,3-dimethyl-414.75 128.26 C10H2276Decane447.20 142.28 77Nonane, 3-methyl-440.90 142.28 78Nonane, 2-methyl-440.00 142.28 79Nonane, 4-methyl-440.00 142.28 80Nonane, 5-methyl-438.30 142.28 81Octane, 2,3-dimethyl-437.46 142.28 82Octane, 2,6-dimethyl-432.00 142.28 83Octane, 2,7-dimethyl-433.10 142.28 84Octane, 3,3-dimethyl-434.35 142.28 85Octane, 4-ethyl-436.51 142.28 864,4-Dimethyl octane 430.70 142.28 87Octane, 3,5-dimethyl-432.00 142.28 88Heptane, 2,4,6-trimethyl-419.00 142.28 89Heptane, 3,3,5-trimethyl-428.80 142.28 90Heptane, 2,2,4-trimethyl-419.15 142.28 91Octane, 2,4-dimethyl-429.05 142.28 92Hexane, 2,2,5,5-tetramethyl-410.70 142.28 93Octane, 2,5-dimethyl-430.00 142.28 943,4-Diethyl hexane430.70 142.28 95Hexane, 3,3,4,4-tetramethyl-443.20 142.28 96Heptane, 4-propyl-430.00 142.28 97Octane, 4,5-dimethyl-436.15 142.28 983-Ethyl-3-methylheptane437.05 142.28 99Hexane, 2,2,3,3-tetramethyl-431.20 142.28 100Heptane, 2,2,6-trimethyl-421.15 142.28 101Heptane, 2,3,6-trimethyl-410.64 142.28 102Pentane, 2,2,3,3,4-pentamethyl-439。