## ATTACHMENT 4

x ATTACHMENT4a: Methylal EPISuite TM 

## 4.1 Calculations – Ultimate Fugacity

x ATTACHMENT4b: Methylal EPISuite TM 

## 4.1 Calculations – Primary Fugacity

RI

## ATTACHMENT4a: Methylal EPISuite TM 

## 4.1 Calculations – Ultimate Fugacity

RICAS Number: 109-87-5 SMILES : O(COC)CCHEM : Methane, dimethoxyMOL FOR: C3 H8 O2 MOL WT : 76.10 ------------------------------ EPI SUMMARY (v4.11) -------------------------- Physical Property Inputs: Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------ Vapor Pressure (mm Hg) : ------ Water Solubility (mg/L): ------ Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = -0.19 Log Kow (Exper. database match) = 0.00 Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43): Boiling Pt (deg C): 48.02 (Adapted Stein & Brown method) Melting Pt (deg C): -95.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 412 (Mean VP of Antoine & Grain methods) VP (Pa, 25 deg C) : 5.49E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -104.8 deg C BP (exp database): 42 deg C VP (exp database): 3.98E+02 mm Hg (5.31E+004 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 1.329e+005 log Kow used: 0.00 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2.44e+005 mg/L (16 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6838e+005 mg/L

ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 5.06E-005 atm-m3/mole (5.13E+000 Pa-m3/mole) Group Method: 2.03E-004 atm-m3/mole (2.06E+001 Pa-m3/mole) Exper Database: 1.73E-04 atm-m3/mole (1.75E+001 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 3.104E-004 atm-m3/mole (3.145E+001 Pa-m3/mole) VP: 412 mm Hg (source: MPBPVP) WS: 1.33E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.00 (exp database) Log Kaw used: -2.150 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.150 Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0166 Biowin2 (Non-Linear Model) : 0.0072 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0137 (weeks ) Biowin4 (Primary Survey Model) : 3.7185 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5389 

## O

O

H 3 

## C C H 3

1 RIBiowin6 (MITI Non-Linear Model): 0.6417 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1884 Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.31E+004 Pa (398 mm Hg) Log Koa (Koawin est ): 2.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.65E-011 Octanol/air (Koa) model: 3.47E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.04E-009 Mackay model : 4.52E-009 Octanol/air (Koa) model: 2.77E-009

Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.0776 E-12 cm3/molecule-sec Half-Life = 2.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.278 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.28E-009 (Junge-Pankow, Mackay avg) 2.77E-009 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 1.304 L/kg (MCI method) Log Koc: 0.115 (MCI method) Koc : 5.545 L/kg (Kow method) Log Koc: 0.744 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt) Log Biotransformation Half-life (HL) = -1.2643 days (HL = 0.05441 days) Log BCF Arnot-Gobas method (upper trophic) = -0.015 (BCF = 0.9661) Log BAF Arnot-Gobas method (upper trophic) = -0.015 (BAF = 0.9661) log Kow used: 0.00 (expkow database)

Volatilization from Water: Henry LC: 0.000173 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.842 hours Half-Life from Model Lake : 115.1 hours (4.794 days)

Removal In Wastewater Treatment: Total removal: 9.55 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.64 percent Total to Air: 7.82 percent (using 10000 hr Bio P,A,S)

Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12.6 52.4 1000 Water 47.9 360 1000 Soil 39.4 720 1000 Sediment 0.0903 3.24e+003 0 Persistence Time: 213 hr
2 RI

## ATTACHMENT4b: Methylal EPISuite TM 

## 4.1 Calculations – Primary Fugacity

RICAS Number: 109-87-5 SMILES : O(COC)CCHEM : Methane, dimethoxyMOL FOR: C3 H8 O2 MOL WT : 76.10 ------------------------------ EPI SUMMARY (v4.00) -------------------------- Physical Property Inputs: Log Kow (octanol-water): ------ Boiling Point (deg C) : ------ Melting Point (deg C) : ------ Vapor Pressure (mm Hg) : ------ Water Solubility (mg/L): ------ Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.19 Log Kow (Exper. database match) = 0.00 Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43): Boiling Pt (deg C): 48.02 (Adapted Stein & Brown method) Melting Pt (deg C): -95.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 412 (Mean VP of Antoine & Grain methods) VP (Pa, 25 deg C) : 5.49E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -104.8 deg C BP (exp database): 42 deg C VP (exp database): 3.98E+02 mm Hg (5.31E+004 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.329e+005 log Kow used: 0.00 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2.44e+005 mg/L (16 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6838e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00): Class(es) found: Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]: Bond Method : 5.06E-005 atm-m3/mole (5.13E+000 Pa-m3/mole) Group Method: 2.03E-004 atm-m3/mole (2.06E+001 Pa-m3/mole) Exper Database: 1.73E-04 atm-m3/mole (1.75E+001 Pa-m3/mole) For Henry LC Comparison Purposes: User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 3.104E-004 atm-m3/mole (3.145E+001 Pa-m3/mole) VP: 412 mm Hg (source: MPBPVP) WS: 1.33E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.00 (exp database) Log Kaw used: -2.150 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.150 Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0166 Biowin2 (Non-Linear Model) : 0.0072 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0137 (weeks ) Biowin4 (Primary Survey Model) : 3.7185 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5389 

## O

O

H 3 

## C C H 3

1 RIBiowin6 (MITI Non-Linear Model): 0.6417 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1884 Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.31E+004 Pa (398 mm Hg) Log Koa (Koawin est ): 2.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.65E-011 Octanol/air (Koa) model: 3.47E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.04E-009 Mackay model : 4.52E-009 Octanol/air (Koa) model: 2.77E-009

Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.0776 E-12 cm3/molecule-sec Half-Life = 2.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.278 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.28E-009 (Junge-Pankow, Mackay avg) 2.77E-009 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 1.304 L/kg (MCI method) Log Koc: 0.115 (MCI method) Koc : 5.545 L/kg (Kow method) Log Koc: 0.744 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00): Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt) Log Biotransformation Half-life (HL) = -1.2643 days (HL = 0.05441 days) Log BCF Arnot-Gobas method (upper trophic) = -0.015 (BCF = 0.9661) Log BAF Arnot-Gobas method (upper trophic) = -0.015 (BAF = 0.9661) log Kow used: 0.00 (expkow database)

Volatilization from Water: Henry LC: 0.000173 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.842 hours Half-Life from Model Lake : 115.1 hours (4.794 days)

Removal In Wastewater Treatment: Total removal: 9.55 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.64 percent Total to Air: 7.82 percent (using 10000 hr Bio P,A,S)

Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 14.3 52.4 1000 Water 43.4 208 1000 Soil 42.2 416 1000 Sediment 0.0773 1.87e+003 0 Persistence Time: 169 hr
2 RI