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EC number: 201-070-7 | CAS number: 77-93-0
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
Calculation with HENRYWIN v3.20 (EPIWIN software by US-EPA): 6.48E-5 Pa*m³/mol
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 25 °C
Additional information
The Henry's Law Constant was calculated with the computer program HENRYWIN (v3.20) made available by the U.S. Environmental Protection Agency. This program estimates the Henry's Law Constant of organic compounds at 25°C by two separate methods that yield two separate estimates. The first method is the Bond Contribution Method and the second is the Group Contribution Method. The Bond Method is able to estimate many more types of structures than the Group Method because it has a more extensive library of bond contribution values. Further, the bond method includes individual hydrogen bond values; the group method does not. Both the Group Method and Bond Method are susceptible to estimates resulting in "Missing Fragments". When a compound is split into groups or bonds, one or more of the resulting groups or bonds may not have a value in the library of available values. The Group Method is much more likely to have a "Missing Fragment" occurrence (meaning an HLC estimate is not possible), as in this case: The Group Method showed an “incomplete Result”, using the Bond Method a Henry´s Law Constant of 6.48 E-005 Pa*m3*mol-1 was calculated for the substance triethyl citrate at 25 °C.
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