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CAS Num: 002186-92-7

SMILES : O(C(OC)c(ccc(OC)c1)c1)C

CHEM : Benzene, 1-(dimethoxymethyl)-4-methoxy-

MOL FOR: C10 H14 O3

MOL WT : 182.22

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 1.52

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 238.99 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0488 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.51 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2702

log Kow used: 1.52 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3941.9 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.42E-007 atm-m3/mole (2.45E-002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.330E-006 atm-m3/mole (4.388E-001 Pa-m3/mole)

VP: 0.0488 mm Hg (source: MPBPVP)

WS: 2.7E+003 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 1.52 (KowWin est)

Log Kaw used: -5.005 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.525

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0980

Biowin2 (Non-Linear Model) : 0.0149

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7210 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6425 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3926

Biowin6 (MITI Non-Linear Model): 0.3047

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0878

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 6.23 Pa (0.0467 mm Hg)

Log Koa (Koawin est ): 6.525

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 4.82E-007

Octanol/air (Koa) model: 8.22E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.74E-005

Mackay model : 3.85E-005

Octanol/air (Koa) model: 6.58E-005

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.4666 E-12 cm3/molecule-sec

Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.619 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.8E-005 (Junge-Pankow, Mackay avg)

6.58E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 29.39 L/kg (MCI method)

Log Koc: 1.468 (MCI method)

Koc : 43.71 L/kg (Kow method)

Log Koc: 1.641 (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 = 0.670 (BCF = 4.678 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7428 days (HL = 0.1808 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.590 (BCF = 3.886)

Log BAF Arnot-Gobas method (upper trophic) = 0.590 (BAF = 3.886)

log Kow used: 1.52 (estimated)

Volatilization from Water:

Henry LC: 2.42E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3267 hours (136.1 days)

Half-Life from Model Lake : 3.576E+004 hours (1490 days)

Removal In Wastewater Treatment:

Total removal: 1.99 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.89 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.377 7.24 1000

Water 32.9 900 1000

Soil 66.6 1.8e+003 1000

Sediment 0.109 8.1e+003 0

Persistence Time: 808 hr

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