Hansen Solubility Parameters for Octahedral Oligomeric Silsesquioxanes

The Hansen Solubility Parameters (HSP) for several polyhedral oligomeric silsesquioxane (POSS) compounds were successfully determined, demonstrating the applicability of the HSP approach for selected types of organic–inorganic compounds. As commonly practiced with organic polymers, a set of simple “...

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Published inIndustrial & engineering chemistry research Vol. 51; no. 38; pp. 12282 - 12293
Main Authors Guenthner, Andrew J, Lamison, Kevin R, Lubin, Lisa M, Haddad, Timothy S, Mabry, Joseph M
Format Journal Article
LanguageEnglish
Published Washington, DC American Chemical Society 26.09.2012
Subjects
Applied sciences
Arrays
Cage
Chemical engineering
Exact sciences and technology
Polyhedral oligomeric silsesquioxane
Polymers
Solubility
Solubility parameters
Solvents
Utilities
Solubility
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Abstract The Hansen Solubility Parameters (HSP) for several polyhedral oligomeric silsesquioxane (POSS) compounds were successfully determined, demonstrating the applicability of the HSP approach for selected types of organic–inorganic compounds. As commonly practiced with organic polymers, a set of simple “pass/fail” tests for complete solubility at a fixed concentration (100 mg/mL) was conducted for an array of five octameric POSS compounds, octa(phenethyl), octa(styrenyl), octa(isobutyl), octakis(hexafluoroisobutyl), and (1-naphthyl)heptaphenyl), and 45 test solvents. Group contributions for the octameric POSS cage were determined using three different approaches, which produced similar results. The best cage contribution estimate for the dispersive, polar, and hydrogen-bonding components δD, δP,, and δH of the total solubility parameter was determined to be δD = 22 (J/cc)1/2, δP = 19 (J/cc)1/2, and δH = 15 (J/cc)1/2, with an estimated uncertainty of approximately 5 (J/cc)1/2. The utility of the HSP approach was demonstrated by successfully identifying mixtures of poor solvents that provided significantly enhanced solubility for octa(isobutyl) POSS, and by successfully estimating the HSP of octakis(trifluoropropyl) POSS from group contributions derived solely from aromatic POSS compounds.
AbstractList The Hansen Solubility Parameters (HSP) for several polyhedral oligomeric silsesquioxane (POSS) compounds were successfully determined, demonstrating the applicability of the HSP approach for selected types of organic–inorganic compounds. As commonly practiced with organic polymers, a set of simple “pass/fail” tests for complete solubility at a fixed concentration (100 mg/mL) was conducted for an array of five octameric POSS compounds, octa(phenethyl), octa(styrenyl), octa(isobutyl), octakis(hexafluoroisobutyl), and (1-naphthyl)heptaphenyl), and 45 test solvents. Group contributions for the octameric POSS cage were determined using three different approaches, which produced similar results. The best cage contribution estimate for the dispersive, polar, and hydrogen-bonding components δD, δP,, and δH of the total solubility parameter was determined to be δD = 22 (J/cc)1/2, δP = 19 (J/cc)1/2, and δH = 15 (J/cc)1/2, with an estimated uncertainty of approximately 5 (J/cc)1/2. The utility of the HSP approach was demonstrated by successfully identifying mixtures of poor solvents that provided significantly enhanced solubility for octa(isobutyl) POSS, and by successfully estimating the HSP of octakis(trifluoropropyl) POSS from group contributions derived solely from aromatic POSS compounds.
The Hansen Solubility Parameters (HSP) for several polyhedral oligomeric silsesquioxane (POSS) compounds were successfully determined, demonstrating the applicability of the HSP approach for selected types of organic-inorganic compounds. As commonly practiced with organic polymers, a set of simple "pass/fail" tests for complete solubility at a fixed concentration (100 mg/mL) was conducted for an array of five octameric POSS compounds, octa(phenethyl), octa(styrenyl), octa(isobutyl), octakis(hexafluoroisobutyl), and (1-naphthyl)heptaphenyl), and 45 test solvents. Group contributions for the octameric POSS cage were determined using three different approaches, which produced similar results. The best cage contribution estimate for the dispersive, polar, and hydrogen-bonding components delta sub(D), delta sub(P,), and delta sub(H) of the total solubility parameter was determined to be delta sub(D) = 22 (J/cc) super(1/2), delta sub(P) = 19 (J/cc) super(1/2), and delta sub(H) = 15 (J/cc) super(1/2), with an estimated uncertainty of approximately 5 (J/cc) super(1/2). The utility of the HSP approach was demonstrated by successfully identifying mixtures of poor solvents that provided significantly enhanced solubility for octa(isobutyl) POSS, and by successfully estimating the HSP of octakis(trifluoropropyl) POSS from group contributions derived solely from aromatic POSS compounds.
Author Lubin, Lisa M
Mabry, Joseph M
Guenthner, Andrew J
Lamison, Kevin R
Haddad, Timothy S
AuthorAffiliation Propulsion Directorate, Air Force Research Laboratory
ERC Incorporated, Air Force Research Laboratory
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Snippet The Hansen Solubility Parameters (HSP) for several polyhedral oligomeric silsesquioxane (POSS) compounds were successfully determined, demonstrating the...
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SubjectTerms Applied sciences
Arrays
Cage
Chemical engineering
Exact sciences and technology
Polyhedral oligomeric silsesquioxane
Polymers
Solubility
Solubility parameters
Solvents
Utilities
Title Hansen Solubility Parameters for Octahedral Oligomeric Silsesquioxanes
URI http://dx.doi.org/10.1021/ie300767p
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