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CAS Num: 007504-66-7

SMILES : O=C(Oc(c(OC)cc(c1)CC=C)c1)CC

CHEM : Phenol, 4-allyl-2-methoxy-, propionate

MOL FOR: C13 H16 O3

MOL WT : 220.27

------------------------------ 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) = 3.55

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

Boiling Pt (deg C): 299.69 (Adapted Stein & Brown method)

Melting Pt (deg C): 69.35 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000759 (Modified Grain method)

VP (Pa, 25 deg C) : 0.101 (Modified Grain method)

Subcooled liquid VP: 0.00198 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 31.59

log Kow used: 3.55 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 15.079 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 7.38E-006 atm-m3/mole (7.47E-001 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: 6.964E-006 atm-m3/mole (7.056E-001 Pa-m3/mole)

VP: 0.000759 mm Hg (source: MPBPVP)

WS: 31.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.55 (KowWin est)

Log Kaw used: -3.520 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.070

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0034

Biowin2 (Non-Linear Model) : 0.9989

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7196 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7675 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6336

Biowin6 (MITI Non-Linear Model): 0.6738

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4241

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): 0.264 Pa (0.00198 mm Hg)

Log Koa (Koawin est ): 7.070

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

Mackay model : 1.14E-005

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

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00041

Mackay model : 0.000908

Octanol/air (Koa) model: 0.000231

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 67.7686 E-12 cm3/molecule-sec

Half-Life = 0.158 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.894 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.000659 (Junge-Pankow, Mackay avg)

0.000231 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 437.5 L/kg (MCI method)

Log Koc: 2.641 (MCI method)

Koc : 756.9 L/kg (Kow method)

Log Koc: 2.879 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.649E+000 L/mol-sec

Kb Half-Life at pH 8: 4.864 days

Kb Half-Life at pH 7: 48.639 days

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.013 (BCF = 102.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8154 days (HL = 0.153 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.743 (BCF = 55.4)

Log BAF Arnot-Gobas method (upper trophic) = 1.743 (BAF = 55.4)

log Kow used: 3.55 (estimated)

Volatilization from Water:

Henry LC: 7.38E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 119.3 hours (4.969 days)

Half-Life from Model Lake : 1425 hours (59.39 days)

Removal In Wastewater Treatment:

Total removal: 14.55 percent

Total biodegradation: 0.19 percent

Total sludge adsorption: 14.00 percent

Total to Air: 0.36 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.158 3.25 1000

Water 19.1 900 1000

Soil 80.3 1.8e+003 1000

Sediment 0.463 8.1e+003 0

Persistence Time: 1e+003 hr

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