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CAS Num: 013019-20-0



MOL FOR: C8 H16 O1

MOL WT : 128.22

------------------------------ 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) = 2.15

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

Boiling Pt (deg C): 150.47 (Adapted Stein & Brown method)

Melting Pt (deg C): -42.06 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.6 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 479 (Mean VP of Antoine & Grain methods)

BP (exp database): 158 deg C

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

Water Solubility at 25 deg C (mg/L): 1371

log Kow used: 2.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2043.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.04E-004 atm-m3/mole (2.07E+001 Pa-m3/mole)

Group Method: 3.46E-004 atm-m3/mole (3.50E+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: 4.430E-004 atm-m3/mole (4.489E+001 Pa-m3/mole)

VP: 3.6 mm Hg (source: MPBPVP)

WS: 1.37E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.15 (KowWin est)

Log Kaw used: -2.079 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.229

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8018

Biowin2 (Non-Linear Model) : 0.9295

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1917 (weeks )

Biowin4 (Primary Survey Model) : 3.9096 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5472

Biowin6 (MITI Non-Linear Model): 0.7119

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2001

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): 439 Pa (3.29 mm Hg)

Log Koa (Koawin est ): 4.229

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

Mackay model : 6.84E-009

Octanol/air (Koa) model: 4.16E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.47E-007

Mackay model : 5.47E-007

Octanol/air (Koa) model: 3.33E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 9.1739 E-12 cm3/molecule-sec

Half-Life = 1.166 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 13.991 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.97E-007 (Junge-Pankow, Mackay avg)

3.33E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 44.69 L/kg (MCI method)

Log Koc: 1.650 (MCI method)

Koc : 204.1 L/kg (Kow method)

Log Koc: 2.310 (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 = 1.084 (BCF = 12.12 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7353 days (HL = 0.184 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.086 (BCF = 12.2)

Log BAF Arnot-Gobas method (upper trophic) = 1.086 (BAF = 12.2)

log Kow used: 2.15 (estimated)

Volatilization from Water:

Henry LC: 0.000346 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.072 hours

Half-Life from Model Lake : 128.5 hours (5.352 days)

Removal In Wastewater Treatment:

Total removal: 15.74 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.07 percent

Total to Air: 13.58 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.97 28 1000

Water 32.9 360 1000

Soil 60 720 1000

Sediment 0.121 3.24e+003 0

Persistence Time: 252 hr

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