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Physical & Chemical properties

Dissociation constant

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Description of key information

According to 3 different sources(QSAR), pKa of Dipentamethylene thiurame hexasulphide is very low and that this product will not be easily ionized.

Key value for chemical safety assessment

pKa at 20°C:
1

Additional information

Three different sources, all based on QSAR are used for estimation of pKa. A structure approach indicates that only 2 h are potentially labile (on the N).

1- According to a calculation made with ACD labs software, pKa1 of Dipentamethylene thiurame hexasulphide is about 0.64-1.04at 25°C. Product is most basic -

2-Based on the structure of Dipentamethylene thiurame hexasulphide, ACD labs is about 0.65-1.05at 25°C. Product is most basic.

3-According to a calculation made with the Software SPARC, pka of Dipentamethylene thiurame hexasulphide is about -2.82 (in water) . there is no dissociation constant.

These 3 informations permit to conclude that the pKa of According to a calculation made with the Software SPARC, pka of Dipentamethylene thiurame hexasulphide is about -2.82 (in water) . there is no dissociation constant.