Molecule

MoleculeBPMONHVMVSTSAAFMRLogPDENSCTCPDHF

n-octane125.665-34.413162.605111.67415.30.39839.1923.670.7025296.224.644.14

2-methyl-heptane117.64723.133.807163.653109.84407.850.37839.2323.610.69828824.83.06

3-methyl-heptane118.9253533.89161.845111.26397.340.37139.1003.610.705829225.63.29

4-methyl-heptane117.7093933.89162.12109.32396.040.37239.1173.610.704629025.64

3-ethyl-hexane118.53452.433.61160.076109.43379.040.36238.9443.610.713629225.743.59

2,2-dimethyl-hexane106.8477.432.259164.289103.42405.110.33939.2533.650.695327925.62.56

2,3-dimethyl-hexane115.60778.933.204160.413108.02384.930.34838.9813.540.712129326.64.23

2,4-dimethyl-hexane109.42969.932.593163.093106.98388.110.34439.1303.540.700428225.82.8

2,5-dimethyl-hexane109.10355.732.635164.715105.72395.080.35739.2603.540.6935279252.5

3,3-dimethyl-hexane111.96983.432.468160.887104.74389.790.32339.0093.650.71290.8427.23.17

3,4-dimethyl-hexane117.72581.733.275158.653106.59376.910.34038.8453.540.7229827.44.97

2-methyl-3-ethyl-pentane115.4588.1-158.807106.06368.10.33238.8363.540.719329527.45.08

3-methyl-3-ethyl-pentane118.25988.732.794157.039101.48366.990.30738.7173.650.727430528.94.76

2,2,3-trimethyl-pentane109.84199.932.008159.517101.31371.750.30138.9253.580.716129428.24.09

2,2,4-trimethyl-pentane99.23810031.008165.096104.09392.190.30539.2623.580.6919271.1525.53.13

2,3,3-trimethyl-pentane114.7699.432.342157.298102.06377.40.29338.7623.580.7262303294.52

2,3,4-trimethyl-pentane113.46795.932.731158.851102.39368.930.31738.8683.480.719129527.64.32

2,2,3,3-tetramethylbutane106.47-31.422138.59893.06390.470.255-3.620.8242270.824.54.88

Best scores reported so far78.85a95.22b91.78a60.85b91.10a86.68a

LEL0.6733-0.94060.88720.64740.94990.50870.99120.46240.1747-0.64580.2434-0.3988-0.3189

1WD0.5590-0.95830.71450.62710.87760.72140.96550.67200.7010-0.61180.0535-0.5774-0.4585

2WD0.5612-0.96610.80330.59480.86380.73160.95590.64780.7185-0.58000.0526-0.5828-0.4242

1WW0.5399-0.95700.79520.62780.87780.72100.96560.66920.2575-0.61290.0414-0.5792-0.4529

1WH-0.57290.9529-0.8264-0.6759-0.9293-0.6217-0.9920-0.6164-0.67920.6663-0.11090.50510.4284

2WH-0.55660.9480-0.8161-0.6867-0.9287-0.6247-0.9914-0.6331-0.17270.6764-0.09750.50960.4433

1WK-0.58850.9490-0.8373-0.6822-0.9403-0.5871-0.9953-0.5883-0.67050.6745-0.13890.47720.4103

2WK-0.56890.9447-0.8249-0.6935-0.9388-0.5940-0.9946-0.6102-0.15310.6850-0.12100.48550.4285

1/1WK0.5993-0.95680.84300.65300.92980.61080.99190.58460.1872-0.64430.1301-0.5009-0.3976

1/2WK0.5947-0.96310.83620.62290.91020.64800.98270.59850.2106-0.61220.1035-0.5369-0.3952

2WUCJD0.5505-0.96260.79440.59160.85500.74360.95030.65840.7162-0.57600.0400-0.5915-0.4313

PDS3[Sh[SZ]]0.43180.5605-0.0104-0.9837-0.4997-0.8959-0.5999-0.9906-0.12170.98470.89360.94760.8663

Legend of indices:

LEL = Laplacian-like energy

1WD and 2WD = Wiener numbers of higher rank (1 and 2)1WW =Hyper-Wiener number1WH and 2WH = Harary numbers of higher rank (1 and 2) 1WK and 2WK = Wiener-type number, taken the reciprocal of entries in the Dp matrix, of higher rank (1 and 2).

1/1WK and 1/2WK = global reciprocal of 1WK and 2WK

2WUCJD = Wiener-type number (of rank 2), calculated on Cluj matrix on distance

PDS3[Sh[SZ]] = Columns sum up to distance 3 on the Shell matrix calculated on SZ matrix

a=M. Randi, Croat. Chim. Acta 66 (1993) 289b=M. V.Diudea, O. M. Minailiuc, and G. Katona, Rev. Roum. Chim. 42 (1997) 239Put in Table 1 the best scored indices in monovariate correlation