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Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The data is predicted using OECD QSAR toolbox with molecular weight as the primary descriptor.
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
The data is taken from QSAR toolbox version 3.1
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material : Cashew (Anacardium occidentale) Nutshell Extract, Decarboxylated, Distilled
- Common name : Cardanol
- Molecular formula : C84H132O4
- Smiles notation : CCCCCCCCCCCCCCCC1=CC=CC(O)=C1.CCCCCCC\C=C/CCCCCCC1=CC=CC(O)=C1.CCCC\C=C/C\C=C/CCCCCCC1=CC=CC(O)=C1.OC1=CC(CCCCCC\C=C/C\C=C/CCC=C)=CC=C1
- Substance type : Organic
- Physical state : Liquid
Key result
H:
0 Pa m³/mol
Remarks on result:
other: Other details not known

The prediction was based on dataset comprised from the following descriptors: "Henry's Law constant"
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((("a" or "b" or "c" or "d" or "e" )  and "f" )  and "g" )  and ("h" and ( not "i") )  )  and ("j" and "k" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Phenols (Chronic toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Aryl AND Benzyl AND Phenol by Organic functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Allyl AND Benzyl AND Overlapping groups AND Phenol by Organic functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH] AND Olefinic carbon [=CH- or =C<] AND Olefinic carbon [=CH2] AND Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Aromatic compound AND Hydroxy compound AND Phenol by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Not calculated by Hydrolysis half-life (Kb, pH 7)(Hydrowin)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Acidic [0,10) AND Basic [0,10) AND No pKa value AND No pKb value by Ionization at pH = 1

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not categorized AND Phenol, (tetrapropenyl) derivatives Tetrapropenyl phenol by OECD HPV Chemical Categories

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Cresols OR m,p - Cresols by OECD HPV Chemical Categories

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 266 Da

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 327 Da

Conclusions:
The estimated Henry's Law Constant value of the test chemical is 0.000499301 Pa-m3/mole.
Executive summary:

The estimated Henry's Law Constant value of the test chemical is 0.000499301 Pa-m3/mole.

Description of key information

The estimated Henry's Law Constant value of the test chemical  is 0.000499301 Pa-m3/mole.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0

Additional information

The estimated Henry's Law Constant value of the test chemical  is 0.000499301 Pa-m3/mole.