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CAS Number: 122-95-2

SMILES : O(c(ccc(OCC)c1)c1)CC

CHEM : Benzene, 1,4-diethoxy-

MOL FOR: C10 H14 O2

MOL WT : 166.22

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 3.14

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

Boiling Pt (deg C): 231.03 (Adapted Stein & Brown method)

Melting Pt (deg C): 16.97 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0118 (Modified Grain method)

VP (Pa, 25 deg C) : 1.57 (Modified Grain method)

MP (exp database): 72 deg C

BP (exp database): 246 deg C

Subcooled liquid VP: 0.0327 mm Hg (25 deg C, Mod-Grain method)

: 4.35 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 134.2

log Kow used: 3.14 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 53.199 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.32E-005 atm-m3/mole (3.37E+000 Pa-m3/mole)

Group Method: 6.43E-003 atm-m3/mole (6.52E+002 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: 1.923E-005 atm-m3/mole (1.949E+000 Pa-m3/mole)

VP: 0.0118 mm Hg (source: MPBPVP)

WS: 134 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.14 (KowWin est)

Log Kaw used: -2.867 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.007

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9322

Biowin2 (Non-Linear Model) : 0.9942

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7156 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7622 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7406

Biowin6 (MITI Non-Linear Model): 0.8521

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7032

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): 4.36 Pa (0.0327 mm Hg)

Log Koa (Koawin est ): 6.007

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

Mackay model : 6.88E-007

Octanol/air (Koa) model: 2.49E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.49E-005

Mackay model : 5.5E-005

Octanol/air (Koa) model: 2E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.9480 E-12 cm3/molecule-sec

Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.147 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.99E-005 (Junge-Pankow, Mackay avg)

2E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 198.8 L/kg (MCI method)

Log Koc: 2.298 (MCI method)

Koc : 594 L/kg (Kow method)

Log Koc: 2.774 (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 = 1.737 (BCF = 54.55 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0384 days (HL = 1.092 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.042 (BCF = 110.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.042 (BAF = 110.2)

log Kow used: 3.14 (estimated)

Volatilization from Water:

Henry LC: 0.00643 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.433 hours

Half-Life from Model Lake : 123.7 hours (5.156 days)

Removal In Wastewater Treatment:

Total removal: 72.66 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 4.38 percent

Total to Air: 68.22 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.93 8.29 1000

Water 53.5 900 1000

Soil 39.9 1.8e+003 1000

Sediment 0.626 8.1e+003 0

Persistence Time: 150 hr

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