Appendix A: Summarized Analytical (Method II) and Predicted MI Information for HBPS Used to Develop the Model to Predict MI Values from Method II data.
HPVCASRN5SampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Aromatic Extracts64742-04-7861412827.7GE 100.27.67.61.90.20
8618726.826.8GE 1004.18.16.120.4
8630343.4GE 1000.32.95.84.41
891305454.3GE 100.15.68.300.60
64742-10-5852553.53.5GE 100.21.51.50.700
873366.46.4GE 10.90.53.20000
Unidentified850974.64.6GE 100.10.3111.51
851026.86.7GE 1000.11.21.20.80.4
8510610.710.7GE 100.20.92.71.81.80.9
851091717GE 10.20.20.65.67.53.80.8
851139.79.7GE 10.10.10.92.81.91.90.9
Aromatic Extracts/ 852562.62.6GE 100.11.910.300
Lubricating Oil Basestock
Mixture
Asphalts64742-93-49112300LT 100.10.10.1000
Asphalts (fume)64642-93-4896066.36.3GE 100.31.40.70.70.30
896073.73.7GE 100.10.30.30.30.30.3
8960888.3GE 100.30.60.30.20.10
8052-42-49443534.2GE 101.11.40.70.300.1
94436284.1GE 100.61.97.65.73.80.4
944372025.3GE 10696660.9
Gas Oils64741-43-1852885.25.2GE 102.65.30.20.30.40.3
64741-44-28752311GE 10.42.51.30000
8877300LT 100.70.20000Yes
64741-49-7852425.25.2GE 10.21.82.40.60.40.10.1
861756.86.8GE 1023.41.30.40.10.1
861781110.6GE 100.841.60.80.30.2
CASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
HPV Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Gas Oils64741-49-7861866.66.7GE 10.12.76.20.30.10.10.3Yes
862706.76.7GE 10.92.63.50.90.400.4
862794.64.6GE 10.84.81.60.1000
64741-59-9828128.328.3GE 1229.514.700.50.50
861825857.9GE 1017.411.60000
861912525.1GE 1013.28.80000
861954034.6GE 10.425.310.90000
862731919.8GE 10.410.95.40.200.20
862802020.1GE 10.318.19000.30
875241413.8GE 1216.88.40000
875267.97.9GE 11.19.66.40.2000
875271.21.2GE 10.820.80.1000Yes
8929500LT 10.442.200000
8929700LT 10.215.200000
64741-82-8872131313.3GE 10.14.26.30.3000Yes
64741-86-2870881.11.1LT 102.40.30000Yes
8746700LT 102.30.60000Yes
68334-30-5852023.83.8GE 10.74.120.3000
852033.83.9GE 10.74.22.10.1000
68476-30-28916511GE 10.11.41.10.1000
891661.31.2GE 103.20.80000
891670.70.7LT 10.10.80.60.1000
891694.14.1GE 101.72.10.1000
891703.83.8GE 10.21.61.30.2000Yes
8917599GE 10.14.55.71.1000
891802.12.1GE 10.41.620.1000
891812.82.8GE 10.31.30.80000
8918244GE 10.41.61.60.2000
HPVCASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Gas Oils68476-30-29167313 12.6GE 10.39.64.800.20.51
916751717.5GE 10.36.14.61.50.81.50.9
922008.28.2GE 105.55.50000
68915-97-9861746.16.1GE 100.34.60.60.10.10.1
861839.99.9GE 100.44.31.20.20.10.1Yes
8619022GE 10.33.610.10.200Yes
862711818.3GE 10.10.85.33.20.40.20.1Yes
Unidentified891640.80.8LT 101.10.70.1000Yes
891683.13.1GE 101.51.90.4000
891711.41.4GE 10.23.30.90000
891727.67.6GE 10.21.62.70.5000
891738.68.4GE 10.42.12.10.5000Yes
8917422GE 10.31.60.80.1000
891766.56.5GE 10.42.42.40.6000
891772.32.3LT 10.51.40.50000
891782.72.7GE 10.42.61.30.2000
891791.70LT 10.51.90.50000
891839.39.3GE 10.82.54.21.70.100
8918444GE 10.41.51.50.2000
891850.70.7LT 10.10.70.10000
891873.94.2LT 10.40.80.60.2000Yes
8929600LT 100.50.510.200
Heavy Fuel Oils64741-57-7852445.65.6GE 100.12.51.91.20.50
852897.57.4GE 1001.41.41.42.10.7Yes
86107.87.8GE 100.11.31.91.91.30
861765.35.3GE 100.60.92.61.70.91.7es
8617977GE 100.513.12.112.1
861893.23.2GE 100.10.20.61.22.51.2
HPVCASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Heavy Fuel Oils64741-57-78626913.413.4GE 100.653.82.50.90Yes
8628111.211.2GE 100.63.62.71.80.70.1
64741-62-486001739739GE 102.625.719.36.43.20.6
86002717726.2GE 101.912.324.712.36.21.2Yes
86015466466.4GE 100.36.212.59.46.21.2
86066555555.4GE 100.510.52110.55.31.6
861233433.7GE 10.1442.72.71.20.3Yes
86180699688.1GE 101.312.725.412.76.41.3
86185775774.8GE 101.925.519.112.75.10.6
86196873860.9GE 101.522.530157.51.5Yes
86484435437.8GE 1019.819.59.84.91
87277142141.8GE 100.43.85.75.73.80.8Yes
87278168167.7GE 100.99.19.16.130.9
87279170168.7GE 100.86.16.1420.6
64741-81-7833668989.1GE 10.12.55.12.51.30.90.1Yes
86161123122.6GE 100.764.531.50.3
86181143142.7GE 10.22.512.47.42.50.50
861930.70.7LT 10.82.90.40000
861947676.2GE 100.53.24.84.81.60.5Yes
8619800LT 15.52.80.60.1000
862303.53.5GE 10.322.71.40.40.10
86272112111.7GE 10.34.98.11.60.30.20
68476-33-5861048584.8GE 101.57.32.91.30.60.1
861082221.9GE 10.32.72.70.90.90.70.3
8611988GE 102.62.61.80.90.60.2
68512-62-9920093.93.9GE 1000.70.70.710.7
68553-00-4916742423.1GE 10.12.65.21.31.31.30.9
Lubricating Oil Basestocks64741-53-3840534.84.8GE 10001.11.400Yes
HPVCASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Lubricating Oil Basestocks64741-53-3874790.90LT 10000.20.60.40
920085.25.2GE 100.111.51.50.50.3
64741-53-3/64742-70-782382.12.1GE 100.21.11.10.30.20
64741-96-4851411.81.8GE 100.51.20.7000
8514211LT 100.50.90.20.100
853861.21.2GE 100.51.10.20.100Yes
875843.63.6GE 101.13.90.60.200Yes
8758500LT 100.10.70.40.100Yes
8759700LT 1000.10.20.20.10
8848400LT 10.10.500.40.10.10
8848900LT 100.10.10.10.20.10.1
8857300LT 100.10.40.1000
8857500LT 1000.10.30.100
64742-17-2885710.80.8LT 1000.100.10.10.1
64742-44-5851059.19.2GE 100.97.82.20.30.30.2Yes
64742-52-5851083.93.9GE 100.92.80.50.20.30.1
8615400LT 1000.20000
8615500LT 1000.10000Yes
861560.50.5LT 10000.10.100Yes
8646100LT 1000.20.20.20.10
8646200LT 10000.10.30.20
864893.93.9GE 100.82.80.4000
865142.32.4GE 100.61.60.30.200
871160.50.5LT 100.11.40.2000
8711700.6LT 1000.50.40.300
8739911LT 100.61.50.1000
874531.71.7GE 100.20.80.50.50.30
874782.22.3GE 100.51.60.30.100
HPVCASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Lubricating Oil Basestocks64742-52-58754500LT 100.11.50.10.10.10
8759800LT 100.80.50000
8759900LT 1000.50.50.50.20
8760000LT 100.10.60.1000Yes
8760100LT 1000.80.60.40.20
8805622LT 100.51.70.1000Yes
8840600LT 100.10.40000
884073.73.7GE 100.64.51.30.400
8841211GE 100.210.70.70.70.3
884881.71.7GE 100.40.90.40.100
885060.80.8LT 100.31.40.1000
885700.70.7LT 1000.30.20.200
885720.40.4LT 100.50.90.1000
8857411LT 100.110.1000
8865100LT 100.10.40000
8865200LT 100.20.60.1000
8865300LT 1000.20.1000
8929920LT 100.31.30.2000
64742-52-5/64742-53-6840070.91.1GE 100.51.20.50.100
8840800LT 100.10.60000
884090.40.4LT 10010.20.100
8841000LT 10.10.20.50.2000
64742-53-68645900LT 100.50.40000
8646000LT 100.10.70.30.10.10Yes
8749000LT 101.30.60000
874921.11.1GE 102.51.10000
8813600LT 100.11.30.1000
8825800LT 100.20.70.1000
HPVCASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Lubricating Oil Basestocks64742-53-6884871.21.2GE 100.81.60.20.100
64742-53-6/64742-52-58615311GE 100.71.30.2000
64742-54-78614800LT 1000.10.10.20.30.3Yes
9210300LT 10000.10.20.10
64742-56-98808800LT 100.10.50.20.100
64742-62-78515800LT 1000.10.30.60.50.1
9056300LT 10000000
64742-65-08219100LT 100.10.40.20.10.10
850982.42.4GE 100.11.61.30.20.10Yes
8613300LT 100000.10.50.5
8614200LT 100000.10.10Yes
8614300LT 1000.40.30.100
8614500LT 10000.20.30.20
8614700LT 1000.10.10.20.10.2
8614900LT 1000.20.1000
874631.11.1GE 100.10.30.30.30.30.1
8750800LT 1000.30.2000
8808900LT 1000.20.20.20.10
8809000LT 1000000.20.1
8809100LT 100.3000.100
8874300LT 10000000.1
8874400LT 1000000.10.3
9056200LT 10000.1000
9056400LT 100.20.20000Yes
9056500LT 100000.100
9165600LT 10000.40.100Yes
920990.20LT 1000.20.1000
921020.40LT 10000.20.20.10
HPVCASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Lubricating Oil Basestocks64742-65-09217300LT 1000.10.1000
9217400LT 1000.10.20.20.10.1Yes
64742-70-78863800LT 1000.40.10.100
8863900LT 1000.40.20.100
8042-47-59040400LT 100000.200
92062-09-49060300LT 10000.20.20.10Yes
Unidentified831234.14.1GE 100.61.90.20.10.10.1
8406351.232.1GE 16.919.22.70.9000
8406454.753.8GE 112.32410.15.900.50
840711.91.7GE 100.20.71.60.500Yes
840721.51GE 100.31.21.1000
840732.11.4GE 100.10.31.10.500
851043.63.6GE 100.53.81.10.10.10.1Yes
851076.56.5GE 100.63.51.20.20.10
8511044GE 100.82.40.40.10.10.1
851129.29.2GE 100.84.22.50.60.10
8537300LT 100.30.60.1000
8612700LT 1000.20.1000
8612800LT 10000.10.20.20
8612900LT 100.1000.10.10.1
8613200LT 1000.10.20.20.20Yes
861570.40.4LT 100.10.50.40.300
8616200LT 100.10.50.1000
8616300LT 100.10.20.1000
8616400LT 1000.10.10.100
8616500LT 100.10.10.10.10.10
8616600LT 100.1000.10.20.2
8622000LT 100.100.10.20.20
HPVCASRNSampleLab Meyers Current 1-Ring2-Ring 3-Ring 4-Ring 5-Ring 6-Ring 7-Ring Holdout
Category Reported Method Model Wt % Wt% Wt % Wt % Wt % Wt % Wt % Sample4
MI1 MI2 MI3
Lubricating Oil BasestocksUnidentified8736000LT 100.60.80.1000
873661.81.8GE 100.82.80.2000Yes
8746200LT 1000.10.20.20.20.1Yes
8758600LT 1000.20.20.100Yes
880540.70LT 100.21.50.1000
8921400LT 100.10.10000
9060100LT 10000.10.200
9060200LT 10000.10.100.1
9060400LT 1000.100.10.10
921582.82.9GE 1000.30.60.70.70.4Yes
921592.52.6GE 100.620.30.100
925171.73.8GE 101.530.3000
925180.70LT 100.51.80.1000
925192.34.4GE 100.82.10.80.30.20
925200.60LT 100.10.40.40.30.10Yes
925210.60LT 100.10.40.50.10.10
9252200LT 100.10.20.10.200
9252300LT 100.10.10.1000
9502200.20LT 100.10.30.10.100
Unidentified8750200LT 100.10.10.10.10.10.1Yes
880981.41.4GE 101.12.70.2000Yes
1MI reported in original lab reports, method of determination varied.
2MI calculated from original data using Myers Method equation 2.2 (Myers, et al. 1981).
3MI predicted from current model. LT 1 indicates predicted MI is less than 1.0, GE 1 indicates predicted MI is greater than or equal to 1.0.
4“Holdout samples” indicates the 49 samples used for model testing and validation.
5When CAS numbers were not provided for samples, they were assigned based on the information provided.
1