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CAS Num: 006414-32-0

SMILES : O1C(c2ccc(OC)cc2)OC(C)C1


MOL FOR: C11 H14 O3

MOL WT : 194.23

------------------------------ 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) = 1.83

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

Boiling Pt (deg C): 275.38 (Adapted Stein & Brown method)

Melting Pt (deg C): 54.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00383 (Modified Grain method)

VP (Pa, 25 deg C) : 0.51 (Modified Grain method)

Subcooled liquid VP: 0.00714 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1292

log Kow used: 1.83 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1217.2 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.41E-007 atm-m3/mole (1.43E-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: 7.576E-007 atm-m3/mole (7.676E-002 Pa-m3/mole)

VP: 0.00383 mm Hg (source: MPBPVP)

WS: 1.29E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.83 (KowWin est)

Log Kaw used: -5.239 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.069

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0923

Biowin2 (Non-Linear Model) : 0.0126

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6945 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6251 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3886

Biowin6 (MITI Non-Linear Model): 0.2527

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0887

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): 0.952 Pa (0.00714 mm Hg)

Log Koa (Koawin est ): 7.069

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

Mackay model : 3.15E-006

Octanol/air (Koa) model: 2.88E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000114

Mackay model : 0.000252

Octanol/air (Koa) model: 0.00023

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 45.2192 E-12 cm3/molecule-sec

Half-Life = 0.237 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.838 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000183 (Junge-Pankow, Mackay avg)

0.00023 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 52.26 L/kg (MCI method)

Log Koc: 1.718 (MCI method)

Koc : 64.87 L/kg (Kow method)

Log Koc: 1.812 (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 = 0.871 (BCF = 7.438 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8160 days (HL = 0.1527 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.814 (BCF = 6.514)

Log BAF Arnot-Gobas method (upper trophic) = 0.814 (BAF = 6.514)

log Kow used: 1.83 (estimated)

Volatilization from Water:

Henry LC: 1.41E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5788 hours (241.2 days)

Half-Life from Model Lake : 6.326E+004 hours (2636 days)

Removal In Wastewater Treatment:

Total removal: 2.12 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.02 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 0.255 5.68 1000

Water 27.6 900 1000

Soil 72 1.8e+003 1000

Sediment 0.121 8.1e+003 0

Persistence Time: 907 hr

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