United States Office of Chemical Safety and Environmental Protection Agency Pollution Prevention Final Scope of the Risk Evaluation for 1,1,2-Trichloroethane Supplemental File: Data Extraction and Data Evaluation Tables for Physical and Chemical Property Studies CASRN: 79-00-5 August 2020 Table of Contents Data Extraction Tables .................................................................................................................................. 7 Table 1. Physical State Study Summary for 1,1,2-trichloroethane ........................................................... 7 Table 2. Physical Properties Study Summary for 1,1,2-trichloroethane ................................................... 7 Table 3. Melting Point Study Summary for 1,1,2-trichloroethane ........................................................... 7 Table 4. Boiling Point Study Summary for 1,1,2-trichloroethane ............................................................. 8 Table 5. Density Study Summary for 1,1,2-trichloroethane ..................................................................... 9 Table 6. Vapor Pressure Study Summary for 1,1,2-trichloroethane ....................................................... 10 Table 7. Vapor Density Study Summary for 1,1,2-trichloroethane ......................................................... 10 Table 8. Water Solubility Study Summary for 1,1,2-trichloroethane ..................................................... 11 Table 9. Octanol Water Coefficient (logKow) Study Summary for 1,1,2-trichloroethane ...................... 12 Table 10. Henry's Law Constant Study Summary for 1,1,2-trichloroethane .......................................... 12 Table 11. Flash Point Study Summary for 1,1,2-trichloroethane ............................................................ 12 Table 12. Auto Flammability Study Summary for 1,1,2-trichloroethane ................................................ 13 Table 13. Viscosity Study Summary for 1,1,2-trichloroethane ............................................................... 13 Table 14. Refractive Index Study Summary for 1,1,2-trichloroethane ................................................... 13 Table 15. Dielectric Constant Study Summary for 1,1,2-trichloroethane ............................................... 14 EPI SuiteTM Model Outputs...................................................................................................................... 15 Data Evaluation Tables ................................................................................................................................ 19 O'Neil, MJ. (2013). The Merck Index. 1,1,2-Trichloroethane. 79-00-5 (15th ed.). Cambridge, UK: Royal Society of Chemistry. HERO ID: 5330121 ............................................................................................... 19 NLM. (2018). PubChem: Hazardous Substance Data Bank: 1,1,2-Trichloroethane, 79-00-5 [Website]. https://pubchem.ncbi.nlm.nih.gov/compound/6574#source=HSDB. HERO ID: 5926162 .................... 21 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 22 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 24 Rumble, JR. (2018). CRC Handbook of Chemistry and Physics. 1,1,2-Trichloroethane. Boca Raton, FL: CRC Press. Taylor & Francis Group. HERO ID: 5926365 ......................................................................... 25 NLM. (2018). PubChem: Hazardous Substance Data Bank: 1,1,2-Trichloroethane, 79-00-5 [Website]. https://pubchem.ncbi.nlm.nih.gov/compound/6574#source=HSDB. HERO ID: 5926162 .................... 26 NLM. (2018). PubChem: Hazardous Substance Data Bank: 1,1,2-Trichloroethane, 79-00-5 [Website]. https://pubchem.ncbi.nlm.nih.gov/compound/6574#source=HSDB. HERO ID: 5926162 .................... 27 2 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 28 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 30 O'Neil, MJ. (2013). The Merck index. 1,1,2-Trichloroethane. 79-00-5 (15th ed.). Cambridge, UK: Royal Society of Chemistry. HERO ID: 5330121 ............................................................................................... 32 U.S. EPA (U.S. Environmental Protection Agency). (2019). Chemistry Dashboard Information for 1,1,2- Trichloroethane. 79-00-5. HERO ID: 5926138 ........................................................................................ 33 U.S. EPA (U.S. Environmental Protection Agency). (2019). Chemistry Dashboard Information for 1,1,2- Trichloroethane. 79-00-5. HERO ID: 5926138 ........................................................................................ 35 U.S. EPA (U.S. Environmental Protection Agency). (2019). Chemistry Dashboard Information for 1,1,2- Trichloroethane. 79-00-5. HERO ID: 5926138 ........................................................................................ 36 U.S. EPA (U.S. Environmental Protection Agency). (2019). Chemistry Dashboard Information for 1,1,2- Trichloroethane. 79-00-5. HERO ID: 5926138 ........................................................................................ 38 NLM. (2018). PubChem: Hazardous Substance Data Bank: 1,1,2-Trichloroethane, 79-00-5 [Website]. https://pubchem.ncbi.nlm.nih.gov/compound/6574#source=HSDB. HERO ID: 5926162 .................... 40 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 42 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 44 Rumble, JR. (2018). CRC Handbook of Chemistry and Physics. 1,1,2-Trichloroethane. Boca Raton, FL: CRC Press. Taylor & Francis Group. HERO ID: 5926365 ......................................................................... 46 Elsevier. (2019). Reaxys: physical-chemical property data for 1,1,2-trichloroethane. CAS Registry Number: 79-00-5 [Website]. HERO ID: 5926430 ................................................................................... 47 Sathyanarayana, B; Jyostna, TS; Satyanarayana, N. (2006). Acoustic studies of binary mixtures of N- methylacetamide with some chloroethanes and chloroethenes at 308.15 K. Indian J Pure Appl Phys 44: 587-591. HERO ID: 4698397 ................................................................................................................... 48 Sathyanarayana, B; Ranjithkumar, B; Jyostna, TS; Satyanarayana, N. (2007). Densities and viscosities of binary liquid mixtures of N-methylacetamide with some chloroethanes and chloroethenes at T=308.15 K. The Journal of Chemical Thermodynamics 39: 16-21. http://dx.doi.org/10.1016/j.jct.2006.06.009. HERO ID: 4698408 ................................................................................................................................... 50 O'Neil, MJ. (2013). The Merck Index. 1,1,2-Trichloroethane. 79-00-5 (15th ed.). Cambridge, UK: Royal Society of Chemistry. HERO ID: 5330121 ............................................................................................... 52 NLM. (2018). PubChem: Hazardous Substance Data Bank: 1,1,2-Trichloroethane, 79-00-5 [Website]. https://pubchem.ncbi.nlm.nih.gov/compound/6574#source=HSDB. HERO ID: 5926162 .................... 53 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 55 3 Rumble, JR. (2018). CRC Handbook of Chemistry and Physics. 1,1,2-Trichloroethane. Boca Raton, FL: CRC Press. Taylor & Francis Group. HERO ID: 5926365 ......................................................................... 57 Elsevier. (2019). Reaxys: physical-chemical property data for 1,1,2-trichloroethane. CAS Registry Number: 79-00-5 [Website]. HERO ID: 5926430 ................................................................................... 58 U.S. EPA (U.S. Environmental Protection Agency). (2019). Chemistry Dashboard Information for 1,1,2- Trichloroethane. 79-00-5. HERO ID: 5926138 ........................................................................................ 59 NLM. (2018). PubChem: Hazardous Substance Data Bank: 1,1,2-Trichloroethane, 79-00-5 [Website]. https://pubchem.ncbi.nlm.nih.gov/compound/6574#source=HSDB. HERO ID: 5926162 .................... 60 RSC. (2019). ChemSpider: 1,1,2-Trichloroethane [Website]. http://www.chemspider.com/Chemical- Structure.6326.html?rid=2a2c9061-8bb6-4138-93e0- 67641f978a2c. HERO ID: 5926271 .................. 62 Elsevier. (2019). Reaxys: physical-chemical property data for 1,1,2-trichloroethane. CAS Registry Number: 79-00-5 [Website]. HERO ID: 5926430 ................................................................................... 64 Yalkowsky, SH; Mishra, DS. (1991). Vapor pressure estimation for organic compounds. Sci Total Environ 109-110: 243-250. http://dx.doi.org/10.1016/0048-9697(91)90181-D. HERO ID: 598165 ....