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CAS Num: 006380-24-1

SMILES : C=CCc1cc(OC)c(OC)cc1


MOL FOR: C11 H14 O2

MOL WT : 178.23

------------------------------ 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) = 3.03

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

Boiling Pt (deg C): 247.71 (Adapted Stein & Brown method)

Melting Pt (deg C): 32.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00347 (Modified Grain method)

VP (Pa, 25 deg C) : 0.463 (Modified Grain method)

MP (exp database): 70 deg C

BP (exp database): 270.5 deg C

VP (exp database): 1.20E-02 mm Hg (1.60E+000 Pa) at 25 deg C

Subcooled liquid VP: 0.0334 mm Hg (25 deg C, exp database VP )

: 4.46 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 144.8

log Kow used: 3.03 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 500 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 17.606 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.73E-005 atm-m3/mole (2.77E+000 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 5.60E-06 atm-m3/mole (5.67E-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: 5.620E-006 atm-m3/mole (5.694E-001 Pa-m3/mole)

VP: 0.00347 mm Hg (source: MPBPVP)

WS: 145 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.03 (KowWin est)

Log Kaw used: -3.640 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.670

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9812

Biowin2 (Non-Linear Model) : 0.9961

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6142 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6763 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5607

Biowin6 (MITI Non-Linear Model): 0.5953

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4043

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): 4.45 Pa (0.0334 mm Hg)

Log Koa (Koawin est ): 6.670

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

Mackay model : 6.74E-007

Octanol/air (Koa) model: 1.15E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.43E-005

Mackay model : 5.39E-005

Octanol/air (Koa) model: 9.18E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 75.1143 E-12 cm3/molecule-sec

Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.709 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):

3.91E-005 (Junge-Pankow, Mackay avg)

9.18E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 340.6 L/kg (MCI method)

Log Koc: 2.532 (MCI method)

Koc : 516.3 L/kg (Kow method)

Log Koc: 2.713 (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 = 1.667 (BCF = 46.44 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2016 days (HL = 0.6286 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.898 (BCF = 79.02)

Log BAF Arnot-Gobas method (upper trophic) = 1.898 (BAF = 79.03)

log Kow used: 3.03 (estimated)

Volatilization from Water:

Henry LC: 5.6E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 140.9 hours (5.873 days)

Half-Life from Model Lake : 1649 hours (68.73 days)

Removal In Wastewater Treatment:

Total removal: 6.24 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 5.82 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 0.145 2.97 1000

Water 19.8 900 1000

Soil 79.7 1.8e+003 1000

Sediment 0.377 8.1e+003 0

Persistence Time: 990 hr

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