10967/122 - QDB Compounds

QsarDB Repository

Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 6, 1337–1348.

134 compounds | Property RI: Refraction index at 25C

IDNameRIDetails
102-methylpentane 1.3687View
113-methylpentane 1.3739View
122,2-dimethylbutane 1.366View
132,3-dimethylbutane 1.3723View
14heptane 1.3851View
152-methylhexane 1.3823View
163-methylhexane 1.3861View
172,2-dimethylpentane 1.38View
182,3-dimethylpentane 1.3895View
192,4-dimethylpentane 1.3788View
203,3-dimethylpentane 1.3884View
213-ethylpentane 1.3971View
222,2,3-trimethylbutane 1.3869View
23octane 1.3951View
242-methylheptane 1.3926View
253-methylheptane 1.3961View
264-methylheptane 1.3955View
272,2-dimethylhexane 1.391View
282,3-dimethylhexane 1.3988View
292,4-dimethylhexane 1.3929View
302,5-dimethylhexane 1.39View
313,3-dimethylhexane 1.3978View
323,4-dimethylhexane 1.4018View
333-ethylhexane 1.3992View
342,2,3-trimethylpentane 1.4007View
352,2,4-trimethylpentane 1.389View
362,3,3-trimethylpentane 1.4052View
372,3,4-trimethylpentane 1.402View
382-methyl-3-ethylpentane 1.4017View
393-methyl-3-ethylpentane 1.4055View
402,2,3,3-tetramethylbutane 1.4057View
422-methyloctane 1.4008View
433-methyloctane 1.404View
444-methyloctane 1.4041View
452,2-dimethylheptane 1.3995View
462,3-dimethylheptane 1.4064View
472,4-dimethylheptane 1.4011View
482,5-dimethylheptane 1.4015View
492,6-dimethylheptane 1.3985View
503,3-dimethylheptane 1.4063View
513,4-dimethylheptane 1.4091View
523,5-dimethylheptane 1.4046View
534,4-dimethylheptane 1.4053View
543-ethylheptane 1.407View
554-ethylheptane 1.4067View
562,2,3-trimethylhexane 1.4082View
572,2,4-trimethylhexane 1.401View
582,2,5-trimethylhexane 1.3973View
592,3,3-trimethylhexane 1.4119View
602,3,4-trimethylhexane 1.412View
612,3,5-trimethylhexane 1.4037View
622,4,4-trimethylhexane 1.4052View
633,3,4-trimethylhexane 1.4154View
642-methyl-3-ethylhexane 1.4091View
652-methyl-4-ethylhexane 1.4054View
663-methyl-3-ethylhexane 1.4134View
673-methyl-4-ethylhexane 1.4128View
682,2,3,3-tetramethylpentane 1.4214View
692,2,3,4-tetramethylpentane 1.4125View
702,2,4,4-tetramethylpentane 1.4046View
712,3,3,4-tetramethylpentane 1.42View
722,2-dimethyl-3-ethylpentane 1.4101View
732,3-dimethyl-3-ethylpentane 1.4197View
742,4-dimethyl-3-ethylpentane 1.4115View
753,3-diethylpentane 1.4184View
812,2-dimethyloctane 1.406View
822,3-dimethyloctane 1.4127View
832,4-dimethyloctane 1.4069View
842,5-dimethyloctane 1.4089View
852,6-dimethyloctane 1.4084View
862,7-dimethyloctane 1.4062View
873,3-dimethyloctane 1.4142View
883,4-dimethyloctane 1.4159View
893,5-dimethyloctane 1.4115View
903,6-dimethyloctane 1.4115View
914,4-dimethyloctane 1.4122View
924,5-dimethyloctane 1.4167View
933-ethyloctane 1.4136View
944-ethyloctane 1.4131View
952,2,3-trimethylheptane 1.4145View
962,2,4-trimethylheptane 1.4092View
972,2,5-trimethylheptane 1.4101View
982,2,6-trimethylheptane 1.4178View
992,3,3-trimethylheptane 1.4202View
1002,3,4-trimethylheptane 1.4195View
1012,3,5-trimethylheptane 1.4169View
1022,3,6-trimethylheptane 1.4131View
1032,4,4-trimethylheptane 1.4143View
1042,4,5-trimethylheptane 1.416View
1052,4,6-trimethylheptane 1.4071View
1062,5,5-trimethylheptane 1.4149View
1073,3,4-trimethylheptane 1.4236View
1083,3,5-trimethylheptane 1.417View
1093,4,4-trimethylheptane 1.4235View
1103,4,5-trimethylheptane 1.4229View
1112-methyl-3-ethylheptane 1.4151View
1122-methyl-4-ethylheptane 1.4114View
1132-methyl-5-ethylheptane 1.4111View
1143-methyl-3-ethylheptane 1.4185View
1153-methyl-4-ethylheptane 1.4183View
1163-methyl-5-ethylheptane 1.4141View
1174-methyl-3-ethylheptane 1.4184View
1184-methyl-4-ethylheptane 1.4187View
1194-propylheptane 1.4113View
1204-isopropylheptane 1.4132View
1212,2,3,3-tetramethylhexane 1.426View
1222,2,3,4-tetramethylhexane 1.4193View
1232,2,3,5-tetramethylhexane 1.4119View
1242,2,4,4-tetramethylhexane 1.4185View
1252,2,4,5-tetramethylhexane 1.4132View
1262,2,5,5-tetramethylhexane 1.4055View
1272,3,3,4-tetramethylhexane 1.4298View
1282,3,3,5-tetramethylhexane 1.4196View
1292,3,4,4-tetramethylhexane 1.4267View
1302,3,4,5-tetramethylhexane 1.4204View
1313,3,4,4-tetramethylhexane 1.4368View
1322,2-dimethyl-3-ethylhexane 1.4174View
1332,2-dimethyl-4-ethylhexane 1.4107View
1342,3-dimethyl-3-ethylhexane 1.4247View
1352,3-dimethyl-4-ethylhexane 1.4203View
1372,4-dimethyl-4-ethylhexane 1.4202View
1382,5-dimethyl-3-ethylhexane 1.4232View
1393,3-dimethyl-4-ethylhexane 1.4246View
1403,4-dimethyl-3-ethylhexane 1.4244View
1413,3-diethylhexane 1.4235View
1423,4-diethylhexane 1.4167View
1432-methyl-3-isopropylhexane 1.4172View
1442,2,3,3,4-pentamethylpentane 1.4341View
1452,2,3,4,4-pentamethylpentane 1.4281View
1462,2,3-trimethyl-3-ethylpentane 1.4397View
1472,2,4-trimethyl-3-ethylpentane 1.4199View
1482,3,4-trimethyl-3-ethylpentane 1.431View
1492-methyl-3,3-diethylpentane 1.432View
1502,4-dimethyl-3-isopropylpentane 1.4246View

Bibliography

  1. Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 1337–1348. http://dx.doi.org/10.1021/ci0003247

  2. Gakh, A. A.; Gakh, E. G.; Sumpter, B. G.; Noid, D. W. Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds. J. Chem. Inf. Model. 1994, 34, 832–839. http://dx.doi.org/10.1021/ci00020a017