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CAS Num: 002230-90-2



MOL FOR: C11 H20 O2

MOL WT : 184.28

------------------------------ 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) = 3.84

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

Boiling Pt (deg C): 217.54 (Adapted Stein & Brown method)

Melting Pt (deg C): -1.74 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.149 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 19.8 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 27.62

log Kow used: 3.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 104.72 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.36E-003 atm-m3/mole (1.37E+002 Pa-m3/mole)

Group Method: 1.44E-003 atm-m3/mole (1.46E+002 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: 1.308E-003 atm-m3/mole (1.325E+002 Pa-m3/mole)

VP: 0.149 mm Hg (source: MPBPVP)

WS: 27.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.84 (KowWin est)

Log Kaw used: -1.255 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.095

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8340

Biowin2 (Non-Linear Model) : 0.9887

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9321 (weeks )

Biowin4 (Primary Survey Model) : 3.8108 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5547

Biowin6 (MITI Non-Linear Model): 0.4829

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3617

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): 18.4 Pa (0.138 mm Hg)

Log Koa (Koawin est ): 5.095

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

Mackay model : 1.63E-007

Octanol/air (Koa) model: 3.05E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.89E-006

Mackay model : 1.3E-005

Octanol/air (Koa) model: 2.44E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.3683 E-12 cm3/molecule-sec

Half-Life = 0.582 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.988 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.47E-006 (Junge-Pankow, Mackay avg)

2.44E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 321.6 L/kg (MCI method)

Log Koc: 2.507 (MCI method)

Koc : 962.8 L/kg (Kow method)

Log Koc: 2.984 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.697E+000 L/mol-sec

Kb Half-Life at pH 8: 2.170 days

Kb Half-Life at pH 7: 21.696 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.200 (BCF = 158.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7195 days (HL = 0.1908 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.865 (BCF = 73.2)

Log BAF Arnot-Gobas method (upper trophic) = 1.865 (BAF = 73.2)

log Kow used: 3.84 (estimated)

Volatilization from Water:

Henry LC: 0.00144 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.937 hours

Half-Life from Model Lake : 135 hours (5.623 days)

Removal In Wastewater Treatment:

Total removal: 49.14 percent

Total biodegradation: 0.19 percent

Total sludge adsorption: 19.62 percent

Total to Air: 29.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.82 14 1000

Water 24.8 360 1000

Soil 71.1 720 1000

Sediment 0.341 3.24e+003 0

Persistence Time: 271 hr

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