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    Estimation of Hydrogen Bonding HSP by The Stefanis Panayiotou Group Contribution Method

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    The document is a table listing various compounds and estimating their hydrogen bonding potential (HSP) values using the Stefanis Panayiotou group contribution method. For each compound, it lists the reference HSP value, the estimated HSP value from the group contribution method, the relevant functional groups in the compound and their numbers, and the individual contribution scores for each group that are summed to estimate the total HSP value.

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    Estimation of Hydrogen Bonding HSP by The Stefanis Panayiotou Group Contribution Method

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    palanaruva
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    The document is a table listing various compounds and estimating their hydrogen bonding potential (HSP) values using the Stefanis Panayiotou group contribution method. For each compound, it lists the reference HSP value, the estimated HSP value from the group contribution method, the relevant functional groups in the compound and their numbers, and the individual contribution scores for each group that are summed to estimate the total HSP value.

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    The document is a table listing various compounds and estimating their hydrogen bonding potential (HSP) values using the Stefanis Panayiotou group contribution method. For each compound, it lists the reference HSP value, the estimated HSP value from the group contribution method, the relevant functional groups in the compound and their numbers, and the individual contribution scores for each group that are summed to estimate the total HSP value.

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    Estimation of Hydrogen Bonding HSP by The Stefanis Panayiotou Group Contribution Method

    Uploaded by

    palanaruva
    The document is a table listing various compounds and estimating their hydrogen bonding potential (HSP) values using the Stefanis Panayiotou group contribution method. For each compound, it lists the reference HSP value, the estimated HSP value from the group contribution method, the relevant functional groups in the compound and their numbers, and the individual contribution scores for each group that are summed to estimate the total HSP value.

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    Table C8-9 Estimation of Hydrogen Bonding HSP by the Stefanis Panayiotou Group Contribution Method

    Name

    REF

    SP

    Group
    1

    No.

    Group
    2

    No.

    1,4-Butane Diol

    20.9

    20.87

    LCH2L

    LOH

    Benzyl Alcohol

    13.7

    13.41

    AcH

    AcCH2L

    LOH

    4.1

    3.52

    CH3L

    LCH2L

    LCH<

    Diisobutyl Ketone

    Group
    3

    No.

    Group
    4

    No.

    Group
    5

    No.

    Contri 1
    0.3877  4

    LCH2COL

    Contri 2

    Contri 3

    0.3554  4

    0.2298  1

    0.7458  3

    0.3877  1

    7.3609  1
    0.2064  2 0.3929  1

    8.4

    8.87

    CH3L

    LCH2L

    HCOOL

    0.7458  1

    0.3877  1

    2.3409  1

    13.1

    14.59

    CH3L

    LCH<

    LOCH2CH2OL

    0.7458  2

    0.2064  1

    8.5893  1

    Ethylene Glycol

    26.0

    21.65

    LCH2L

    LOH

    0.3877  2

    7.3609  2

    Ethylene Glycol
    Monoethyl Ether

    14.0

    15.16

    CH3L

    LCH2L

    LOCH2CH2OL

    0.7458  1

    0.3877  1

    8.5893  1

    Ethylene Glycol
    Monomethyl Ether
    Acetate

    11.6

    8.90

    LCH2L

    CH3COOL

    CH3OL

    0.3877  2

    1.7051  1

    0.2676  1

    Ethylene Glycol
    Monomethyl Ether

    15.0

    15.54

    CH3L

    LOCH2CH2OL

    0.7458  1

    8.5893  1

    Hexylene Glycol

    17.8

    20.10

    LCH2L

    LOH

    Isobutyl Acetate

    6.3

    7.32

    CH3L

    LCH2L

    LCH<

    Contri
    5

    7.3609  2

    Ethylene Glycol
    Mono Isopropyl Ether

    Ethyl Formate

    Contri
    4

    0.3877  6

    7.3609  2

    CH3COOL

    0.7458  2

    0.3877  1

    0.7458  2

    0.2064  1

    1.7051  1

    LOH

    0.7458  3

    0.3877  1

    0.2064  2

    0.7458  1

    0.3877  2

    1.1683  1

    0.2064  1

    1.7051  1

    8.2

    7.71

    CH3L

    LCH<

    CH3COOL

    12.3

    12.02

    CH3L

    LCH2L

    LCH<

    Methyl Propyl Ketone

    4.7

    5.01

    CH3L

    LCH2L

    CH3COL

    Methyl Amyl Ketone

    4.1

    4.24

    CH3L

    LCH2L

    CH3COL

    0.7458  1

    0.3877  4

    1.1683  1

    Methyl Isoamyl
    Ketone

    4.1

    3.31

    CH3L

    LCH2L

    LCH<

    CH3COL

    0.7458  3

    0.3877  2

    0.2064  1 1.1683  1

    Methyl Isobutyl
    Ketone

    4.1

    5.88

    CH3L

    LCH2L

    LCH<

    CH3OL

    0.7458  2

    0.3877  1

    0.2064  1

    n-Propyl Bromide

    4.8

    5.27

    CH3L

    LCH2L

    LBr

    0.7458  1

    0.3877  2

    0.9087  1

    n-Propyl Acetate

    7.6

    7.88

    CH3L

    LCH2L

    CH3COOL

    0.7458  1

    0.3877  2

    1.7051  1

    11.6

    13.99

    CH3L

    LCH2L

    LCH<

    LOH

    CH3OL

    0.7458  1

    0.3877  1

    0.2064  1

    7.3609  1 0.2676
    1

    Propylene Glycol
    Methyl Ether Acetate

    9.8

    8.33

    CH3L

    LCH2L

    LCH<

    CH3COOL

    CH3OL

    0.7458  1

    0.3877  1

    0.2064  1

    1.7051  1 0.2676
    1

    Tetrahydrofuran

    8.0

    6.70

    LCH2L

    LCH2OL
    (CYCLIC)

    0.3877  2

    0.1673  1

    AcCH3

    Isopropyl Acetate
    Methyl Isobutyl
    Carbinol

    Propylene Glycol
    Monomethyl Ether

    Cyclohexane

    0.2

    0.68

    LCH2L

    Toluene

    2.0

    1.76

    AcH

    0.1161  6
    0.1353  5

    0.2873  1

    7.3609  1

    0.2676  1

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