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Using a structure estimation method based on molecular connectivity indices, the Koc of pentaerythritol pentanitrate can be estimated to be 650. This estimated Koc value suggests that pentaeryhtritol pentanitrate is expected to have low mobility in soil.

Henry's Law constant for pentaerythritol tetranitrate is estimated as 1.32E-4 Pa m3/mol. This Henry's Law constant indicates that pentaerythritol tetranitrate is expected to be essentially nonvolatile from water and moist soil surfaces. On the other hand, pentaerythritol tetranitrate is not expected to volatilize from dry soil surfaces based upon its vapour pressure.

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