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CAS Num: 007786-61-0

SMILES : O(c(c(O)ccc1C=C)c1)C

CHEM : Phenol, 4-ethenyl-2-methoxy-

MOL FOR: C9 H10 O2

MOL WT : 150.18

------------------------------ 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) = 2.24

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

Boiling Pt (deg C): 247.07 (Adapted Stein & Brown method)

Melting Pt (deg C): 50.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0077 (Modified Grain method)

VP (Pa, 25 deg C) : 1.03 (Modified Grain method)

Subcooled liquid VP: 0.0131 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 926

log Kow used: 2.24 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3086 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Phenols

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

Bond Method : 1.70E-008 atm-m3/mole (1.72E-003 Pa-m3/mole)

Group Method: 2.81E-007 atm-m3/mole (2.85E-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: 1.643E-006 atm-m3/mole (1.665E-001 Pa-m3/mole)

VP: 0.0077 mm Hg (source: MPBPVP)

WS: 926 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.24 (KowWin est)

Log Kaw used: -6.158 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.398

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9238

Biowin2 (Non-Linear Model) : 0.9826

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8656 (weeks )

Biowin4 (Primary Survey Model) : 3.7479 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5684

Biowin6 (MITI Non-Linear Model): 0.6146

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5084

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): 1.75 Pa (0.0131 mm Hg)

Log Koa (Koawin est ): 8.398

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

Mackay model : 1.72E-006

Octanol/air (Koa) model: 6.14E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.2E-005

Mackay model : 0.000137

Octanol/air (Koa) model: 0.00489

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 54.3728 E-12 cm3/molecule-sec

Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.361 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec

Half-Life = 0.546 Days (at 7E11 mol/cm3)

Half-Life = 13.097 Hrs

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

9.97E-005 (Junge-Pankow, Mackay avg)

0.00489 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 374.7 L/kg (MCI method)

Log Koc: 2.574 (MCI method)

Koc : 243.7 L/kg (Kow method)

Log Koc: 2.387 (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 = 1.145 (BCF = 13.96 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8629 days (HL = 0.1371 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.123 (BCF = 13.28)

Log BAF Arnot-Gobas method (upper trophic) = 1.123 (BAF = 13.28)

log Kow used: 2.24 (estimated)

Volatilization from Water:

Henry LC: 2.81E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2555 hours (106.4 days)

Half-Life from Model Lake : 2.797E+004 hours (1165 days)

Removal In Wastewater Treatment:

Total removal: 2.55 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.44 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.325 3.47 1000

Water 25.1 360 1000

Soil 74.2 720 1000

Sediment 0.39 3.24e+003 0

Persistence Time: 469 hr

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