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CAS Num: 000101-48-4

SMILES : O(C(OC)Cc(cccc1)c1)C

CHEM : Benzene, (2,2-dimethoxyethyl)-

MOL FOR: C10 H14 O2

MOL WT : 166.22

------------------------------ 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) = 1.93

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

Boiling Pt (deg C): 219.76 (Adapted Stein & Brown method)

Melting Pt (deg C): -0.08 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.133 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 17.7 (Mean VP of Antoine & Grain methods)

BP (exp database): 220 @ 754 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 1439

log Kow used: 1.93 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2219.1 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.42E-006 atm-m3/mole (5.49E-001 Pa-m3/mole)

Group Method: 1.14E-006 atm-m3/mole (1.16E-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: 2.021E-005 atm-m3/mole (2.048E+000 Pa-m3/mole)

VP: 0.133 mm Hg (source: MPBPVP)

WS: 1.44E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.93 (KowWin est)

Log Kaw used: -3.654 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.584

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1565

Biowin2 (Non-Linear Model) : 0.0212

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7617 (weeks )

Biowin4 (Primary Survey Model) : 3.5248 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1561

Biowin6 (MITI Non-Linear Model): 0.1118

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3842

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): 16.5 Pa (0.124 mm Hg)

Log Koa (Koawin est ): 5.584

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

Mackay model : 1.81E-007

Octanol/air (Koa) model: 9.42E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.55E-006

Mackay model : 1.45E-005

Octanol/air (Koa) model: 7.54E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.3866 E-12 cm3/molecule-sec

Half-Life = 0.653 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.833 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.05E-005 (Junge-Pankow, Mackay avg)

7.54E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 81.91 L/kg (MCI method)

Log Koc: 1.913 (MCI method)

Koc : 64.78 L/kg (Kow method)

Log Koc: 1.811 (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 = 0.941 (BCF = 8.725 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9750 days (HL = 0.1059 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.859 (BCF = 7.235)

Log BAF Arnot-Gobas method (upper trophic) = 0.859 (BAF = 7.235)

log Kow used: 1.93 (estimated)

Volatilization from Water:

Henry LC: 5.42E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 140.6 hours (5.858 days)

Half-Life from Model Lake : 1642 hours (68.41 days)

Removal In Wastewater Treatment:

Total removal: 2.48 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.09 percent

Total to Air: 0.30 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.45 15.7 1000

Water 28.5 360 1000

Soil 69.9 720 1000

Sediment 0.147 3.24e+003 0

Persistence Time: 436 hr

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