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CAS Num: 004132-48-3

SMILES : c(cc(c1)C(C)C)c(c1)OC


MOL FOR: C10 H14 O1

MOL WT : 150.22

------------------------------ 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) = 3.53

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

Boiling Pt (deg C): 199.53 (Adapted Stein & Brown method)

Melting Pt (deg C): -10.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.369 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 49.2 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 73.21

log Kow used: 3.53 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 51.077 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.20E-004 atm-m3/mole (6.28E+001 Pa-m3/mole)

Group Method: 9.96E-003 atm-m3/mole (1.01E+003 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: 9.963E-004 atm-m3/mole (1.009E+002 Pa-m3/mole)

VP: 0.369 mm Hg (source: MPBPVP)

WS: 73.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.53 (KowWin est)

Log Kaw used: -1.596 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.126

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8626

Biowin2 (Non-Linear Model) : 0.9759

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7342 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6396 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4848

Biowin6 (MITI Non-Linear Model): 0.5776

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3123

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): 45.1 Pa (0.338 mm Hg)

Log Koa (Koawin est ): 5.126

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

Mackay model : 6.66E-008

Octanol/air (Koa) model: 3.28E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.4E-006

Mackay model : 5.33E-006

Octanol/air (Koa) model: 2.62E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.9815 E-12 cm3/molecule-sec

Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.429 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.86E-006 (Junge-Pankow, Mackay avg)

2.62E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 447.1 L/kg (MCI method)

Log Koc: 2.650 (MCI method)

Koc : 858.2 L/kg (Kow method)

Log Koc: 2.934 (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 = 1.996 (BCF = 99.09 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1814 days (HL = 1.519 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.360 (BCF = 229.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.361 (BAF = 229.4)

log Kow used: 3.53 (estimated)

Volatilization from Water:

Henry LC: 0.00996 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.323 hours

Half-Life from Model Lake : 117.2 hours (4.883 days)

Removal In Wastewater Treatment:

Total removal: 80.98 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 8.65 percent

Total to Air: 72.26 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.42 8.86 1000

Water 46 900 1000

Soil 47.4 1.8e+003 1000

Sediment 1.14 8.1e+003 0

Persistence Time: 173 hr

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