Zinc bis(hydroxymethanesulphinate)

Henry's Law constant

Link to relevant study record(s)

Reference

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

May 2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: scientifically accepted calculation method

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

no guideline followed

Principles of method if other than guideline:

scientifically accepted calculation method: software: HENRYWIN Program v3.20 from US-EPA

GLP compliance:

no

Remarks:

not applicable

Temp.:

25 °C

Atm. press.:

1 013 hPa

Remarks on result:

other: 3.72e-10 Pa m³/mol

HENRYWIN v3.20 Results

CLASS	No.	BOND CONTRIBUTION DESCRIPTION	COMMENT	VALUE
HYDROGEN	2	Hydrogen to Carbon (aliphatic) Bonds		-0.2394
HYDROGEN	1	Hydrogen to Oxygen Bonds		3.2318
FRAGMENT	1	C-O		1.0855
FRAGMENT	1	C-S		1.1056
FRAGMENT	1	O-S	ESTIMATE	0.2100
FRAGMENT	1	O=S (sulfoxide-type)	ESTIMATE	4.2000
FRAGMENT	1	O-Na	ESTIMATE	3.2300
RESULT		BOND ESTIMATION METHOD for LWAPC VALUE	TOTAL	12.824

----------+---------------------------------------------+---------+----------

HENRYs LAW CONSTANT at 25 °C     = 3.67E-015 atm-m³/mole

                                                     = 1.50E-013 unitless

                                                     = 3.72E-010 Pa-m3/mole

Executive summary:

Using the Bond method of the computer program HENRYWIN from US-EPA a Henry's Law constant of 3.72 e-010 Pa*m³/mole was calculated for the active substance. The group method showed an incomplete result.

Description of key information

Henry’s law constants are usually not derived for organic soluble salts. The calculated value was 3.72 E-15 Pam³/mole respectively 1.50 E-13.

Additional information

Using the Bond method of the computer program HENRYWIN from US-EPA a Henry's Law constant of 3.72 e-015 Pa*m³/mole was calculated. The group method showed an incomplete result.