PEER REVIEW DRAFT - DO NOT CITE OR QUOTE vvEPA United States Office of Chemical Safety and Environmental Protection Agency Pollution Prevention Draft Risk Evaluation for T richloroethylene Systematic Review Supplemental File: Data Quality Evaluation of Physical-Chemical Properties Studies CASRN: 79-01-6 CI H CI CI February 2020 ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table of Contents Table 1. Physical Form Study Summary for Trichloroethylene 3 Table 2. Melting Point Study Summary for Trichloroethylene 4 Table 3. Boiling Point Study Summary for Trichloroethylene 5 Table 4. Density Study Summary for Trichloroethylene 6 Table 5. Vapor Pressure Study Summary for Trichloroethylene 7 Table 6. Vapor Density Study Summary for Trichloroethylene 8 Table 7. Water Solubility Study Summary for Trichloroethylene 9 Table 8. Octanol-water Partition Coefficient Study Summary for Trichloroethylene 10 Table 9. Henry's Law Constant Study Summary for Trichloroethylene 11 Table 10. Flash Point Study Summary for Trichloroethylene 12 Table 11. Auto flammability Study Summary for Trichloroethylene 13 Table 12. Viscosity Study Summary for Trichloroethylene 14 Table 13. Refractive Index Summary for Trichloroethylene 15 Table 14. Dielectric Constant Summary for Trichloroethylene 16 ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 1. Physical Form Study Summary for Trichloroethylene Study Reference: O'Neil, MJ; Heckelman, PE; Koch, CB. (2006). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (14th ed.). Whitehouse Station, NJ: Merck & Co. HERO ID: 737461 Note: O'Neil (2006) reported various physical-chemical properties and only the confidence of the physical form is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The information was reported for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The information is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Not rated This metric is not applicable to this type of information. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 2. Melting Point Study Summary for Trichloroethylene Study Reference: Lide, DR. (2007). CRC handbook of chemistry and physics: A ready- reference book of chemical and physical data. In DR Lide (Ed.), (88th ed.). Boca Raton, FL: CRC Press. HERO ID: 3827361 Note: Lide (2007) reported various physical-chemical properties and only the confidence of the melting point is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 3. Boiling Point Study Summary for Trichloroethylene Study Reference: Lide, DR. (2007). CRC handbook of chemistry and physics: A ready- reference book of chemical and physical data. In DR Lide (Ed.), (88th ed.). Boca Raton, FL: CRC Press. HERO ID: 3827361 Note: Lide (2007) reported various physical-chemical properties and only the confidence of the boiling point is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 4. Density Study Summary for Trichloroethylene Study Reference: ECB. (2000). IUCLID dataset: CAS No. 79-01-6: Trichloroethylene. Ispra, Italy: European Chemicals Bureau, European Commission. Retrieved from httDs://echa.euroDa.eu/substance-information/-/substanceinfo/100.001.062. HERO ID: 3809495 Note: ECB (2000) cited Leduc Chemie B.V. (1998) who reported the density of trichlorethylene. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. Medium The value is reported in a secondary source which was prepared and reviewed by experts; however, the original source is a report with unknown review or reliability. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level Medium ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 5. Vapor Pressure Study Summary for Trichloroethylene Study Reference: Daubert, TE; Danner, RP. (1989). Physical and thermodynamic properties of pure chemicals: Data compilation. Washington, DC: Taylor & Francis. HERO ID: 194705 Note: Daubert and Danner (1989) reported a regression equation for the vapor pressure of trichloroethylene. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Measured data are consistent with the subject chemical substance structural features. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection/repository where data are peer-reviewed by experts in the field, are broadly available to the public for review and use and include references to the original sources. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. High Methodology for producing the information is designed to answer a specific question, and the methodology's objective is clear. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Underlying experimental studies used to derive the coefficients were cited but analytical details were not provided. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 6. Vapor Density Study Summary for Trichloroethylene Study Reference: O'Neil, MJ; Heckelman, PE; Koch, CB. (2006). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (14th ed.). Whitehouse Station, NJ: Merck & Co. HERO ID: 737461 Note: O'Neil (2006) reported various physical-chemical properties and only the confidence of the vapor density is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 7. Water Solubility Study Summary for Trichloroethylene Study Reference: Horvath, AL; Getzen, FW; Maczynska, Z. (1999). IUPAC-NIST Solubility Data Series 67: Halogenated Ethanes and Ethenes with Water. J Phys Chem Ref Data 28: 395-627. HERO ID: 729645 Note: Horvath et al. (1999) reported water solubilities at various temperatures for trichloroethylene using a regression-equation based on multiple measured values. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Measured data are consistent with the subject chemical substance structural features. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection/repository where data are peer-reviewed by experts in the field, are broadly available to the public for review and use and includes references to the original sources. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. High Methodology for producing the information is designed to answer a specific question, and the methodology's objective is clear. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Underlying experimental studies used to derive the coefficients were cited but analytical details were not provided. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 8. Octanol-water Partition Coefficient Study Summary for Trichloroethylene Study Reference: Hansch, C., Leo, A., D. Hoekman. (1995). Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society. HERO ID: 51424 Note: Hansch et al. (1995) reported the log Kow. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The information is from a recognized data collection that has been compiled by experts and includes references to the original sources. The original source for this value is a peer-reviewed journal. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 9. Henry's Law Constant Study Summary for Trichloroethylene Study Reference: Leighton, DT; Calo, JM. (1981). Distribution coefficients of chlorinated hydrocarbons in dilute air-water systems for groundwater contamination applications. HERO ID: 194928 Note: Leighton and Calo (1981) reported the Henry's Law constant as a dimensionless value and it has been converted to atm-m3/mol. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The value was measured for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The source is a peer-re viewed journal. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. High The method for producing this value is not biased towards a particular outcome. Reliability/ Analytic Method The information or data reported is from a reliable method. High The analytical method used to measure this value is an accepted standard method. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 10. Flash Point Study Summary for Trichloroethylene Study Reference: ECB. (2000). IUCLID dataset: CAS No. 79-01-6: Trichloroethylene. Ispra, Italy: European Chemicals Bureau, European Commission. Retrieved from httDs://echa.euroDa.eu/substance-information/-/substanceinfo/100.001.062. HERO ID: 3809495 Note: ECB (2000) cited Petrasol B.V. (1990) who reported the flash point of trichloroethylene. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. Low There is conflicting data available that indicates this substance is non- flammable. Evalu ation/Review The information or data reported has reliable review. Medium The value is reported in a secondary source which was prepared and reviewed by experts; however, the original source is a report with unknown review or reliability. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. High The analytical method is an accepted standard method. Overall Quality Level Medium ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 11. Auto flammability Study Summary for Trichloroethylene Study Reference: ECB. (2000). IUCLID dataset: CAS No. 79-01-6: Trichloroethylene. Ispra, Italy: European Chemicals Bureau, European Commission. Retrieved from httDs://echa.euroDa.eu/substance-information/-/substanceinfo/100.001.062. HERO ID: 3809495 Note: ECB (2000) reported the autoflammability temperature of trichloroethylene. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. Medium The value is reported in a secondary source which was prepared and reviewed by experts; however, the original source is a report with unknown review or reliability. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level Medium ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 12. Viscosity Study Summary for Trichloroethylene Study Reference: Lide, DR. (2007). CRC handbook of chemistry and physics: A ready- reference book of chemical and physical data. In DR Lide (Ed.), (88th ed.). Boca Raton, FL: CRC Press. HERO ID: 3827361 Note: Lide (2007) reported various physical-chemical properties and only the confidence of the viscosity is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 13. Refractive Index Summary for Trichloroethylene Study Reference: O'Neil, MJ; Smith, A; Heckelman, PE. (2001). Trichloroethylene. In Merck Index. Whitehouse Station, NJ: Merck & Co., Inc. HERO ID: 3809347 Note: O'Neil (2001) reported the refractive index of trichloroethylene. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High ------- PEER REVIEW DRAFT - DO NOT CITE OR QUOTE Table 14. Dielectric Constant Summary for Trichloroethylene Study Reference: Weast, RC; Shelby, SM. (1966). CRC Handbook of Chemistry and Physics Ethene, Trichloro. Cleveland, OH: The Chemical Rubber Co. HERO ID: 3809382 Note: Weast and Shelby (1966) reported the dielectric constant of trichloroethylene. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evalu ation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Reliability/ Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/ Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High ------- |