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EC number: 701-028-2 | CAS number: -
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Title:
- No information
- Author:
- Mackay, D. et al. 1996a. Assessing the fate of new and|existing chemicals: a five-stage process. Environ. Toxicol.|Chem. 15(9): 1618-1626.|Mackay,D. et al. 1996b. Evaluating the environmental fate|of a variety of types of chemicals using the EQC model. |Environ. Toxicol. Chem. 15(9): 1627-1637.|Meylan, W. and PH Howard. 1999a. User's Guide for MPBPVP,|Version 1.4. Syracuse Research Corporation. North|Syracuse, New York. December, 1999.|Meylan, W. and PH Howard. 1999b. User's Guide for KOWWIN,|Version 1.6. Syracuse Research Corporation. North|Syracuse, New York. July, 1999.|Meylan, W. and PH Howard. 1999c. User's Guide for|WSKOWWIN, Version 1.3. Syracuse Research Corporation. North|Syracuse, New York. April, 1999.|Meylan, W. and PH Howard. 2000a. User's Guide for AOPWIN,|Version 1.9. Syracuse Research Corporation. North|Syracuse, New York. March, 2000.|Meylan, W. and PH Howard. 2000b. User's Guide for BIOWIN,|Version 4.0. Syracuse Research Corporation. North|Syracuse, New York. February, 2000. |Reimer Analytical & Associates, Inc. 2001a.|Physical-Chemical Property of TNPP (26523-78-4). Hydrolysis|as a Function of pH (OECD 111). Study No. 171-1234HY,|Vancouver, BC, Canada, August 10, 2001.|Reimer Analytical & Associates, Inc. 2001b.|Physical-Chemical Property of TNPP (26523-78-4). Melting|Point (OECD 102). Study No. 171-1234MP, Vancouver, BC,|Canada, August 10, 2001.|Reimer Analytical & Associates, Inc. 2001c.|Physical-Chemical Property of TNPP (26523-78-4). Solubility|in Water (OECD 105). Study No. 171-1234SW, Vancouver, BC,|Canada, August 10, 2001.|Reimer Analytical & Associates, Inc. 2001d.|Physical-Chemical Property of TNPP (26523-78-4).|n-Octanol/Water Partition Coefficient (Expert Statement)|Study No. 171-1234, Vancouver, BC, Canada, August 10, 2001.|Syracuse Research Corporation. 2000. User's Guide for|Estimation Programs Interface for Windows, Version 3,|Syracuse Research Corporation. North Syracuse, New York.
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Media:
- other: air/water/soil/sediment
Test material
- Reference substance name:
- Tris(nonylphenyl) phosphite
- EC Number:
- 247-759-6
- EC Name:
- Tris(nonylphenyl) phosphite
- Cas Number:
- 26523-78-4
- Molecular formula:
- C45H69O3P
- IUPAC Name:
- Phenol, nonyl-, phosphite (3:1)
- Reference substance name:
- tris(nonylphenyl) phosphite
- Molecular formula:
- C45H69O3P
- IUPAC Name:
- tris(nonylphenyl) phosphite
Constituent 1
Constituent 2
Results and discussion
Percent distribution in media
- Air (%):
- 1.4
- Water (%):
- 4.5
- Soil (%):
- 5.6
- Sediment (%):
- 88.6
Any other information on results incl. tables
The following measured data were reported and used in the fugacity-based distribution modeling. TNPP undergoes hydrolysis with half-lives of 13 to 14 hours at pH values of 4 to 9 (at 22 °C) (Reimer, 2001a), has a melting point averaging 6 °C (Reimer, 2001b), and a water solubility of < 0.6 mg/L (24 °C) (Reimer, 2001c). In addition, an expert statement with a calculated log Kow value of 21.6 was provided (Reimer, 2001d). This expert statement was reviewed and is correct. Using the EPIWIN models described above, additional parameters were estimated. They include a water solubility of 1.3 E-15 mg/L, a vapor pressure of 5 E-12 Pa, an atmospheric half-life of 5.07 hours, water and soil biodegradation half-lives of 900 hours, and a sediment half-life of 3600 hours. Excepting the water and soil biodegradation half-lives, these values were all used in the distribution modeling. Hydrolysis is the dominant fate process in water and would be equally so in soil, so a 14 hour half-life was used in those compartments. The results of the distribution modeling (assuming equal emissions to air, water, and soil) were: Air 1.4 %, Water 4.5%, Soil 5.6%, and Sediment 88.6%.
Applicant's summary and conclusion
- Conclusions:
- The vast majority of TNPP released into the environment partitions to the sediment.
- Executive summary:
The vast majority of TNPP released into the environment partitions to the sediment.
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