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CAS Num: 000624-01-1



MOL FOR: C10 H18 O3

MOL WT : 186.25

------------------------------ 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) = 1.97

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

Boiling Pt (deg C): 308.16 (Adapted Stein & Brown method)

Melting Pt (deg C): 90.79 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000293 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0391 (Modified Grain method)

Subcooled liquid VP: 0.00126 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2669

log Kow used: 1.97 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4746.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 2.02E-009 atm-m3/mole (2.04E-004 Pa-m3/mole)

Group Method: 3.08E-010 atm-m3/mole (3.12E-005 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: 2.690E-008 atm-m3/mole (2.726E-003 Pa-m3/mole)

VP: 0.000293 mm Hg (source: MPBPVP)

WS: 2.67E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.97 (KowWin est)

Log Kaw used: -7.083 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.053

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8468

Biowin2 (Non-Linear Model) : 0.9167

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4280 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2114 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8033

Biowin6 (MITI Non-Linear Model): 0.8950

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4156

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): 0.168 Pa (0.00126 mm Hg)

Log Koa (Koawin est ): 9.053

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

Mackay model : 1.79E-005

Octanol/air (Koa) model: 0.000277

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000645

Mackay model : 0.00143

Octanol/air (Koa) model: 0.0217

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.7948 E-12 cm3/molecule-sec

Half-Life = 0.723 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.675 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00104 (Junge-Pankow, Mackay avg)

0.0217 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 11.46 L/kg (MCI method)

Log Koc: 1.059 (MCI method)

Koc : 27.61 L/kg (Kow method)

Log Koc: 1.441 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7617 days (HL = 0.1731 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.936 (BCF = 8.63)

Log BAF Arnot-Gobas method (upper trophic) = 0.936 (BAF = 8.63)

log Kow used: 1.97 (estimated)

Volatilization from Water:

Henry LC: 3.08E-010 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.594E+006 hours (1.081E+005 days)

Half-Life from Model Lake : 2.83E+007 hours (1.179E+006 days)

Removal In Wastewater Treatment:

Total removal: 2.22 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.12 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.01 17.4 1000

Water 27.6 208 1000

Soil 72.3 416 1000

Sediment 0.0596 1.87e+003 0

Persistence Time: 416 hr

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