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CAS Number: 93836-50-1



MOL FOR: C12 H20 O2

MOL WT : 196.29

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 4.42

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

Boiling Pt (deg C): 233.30 (Adapted Stein & Brown method)

Melting Pt (deg C): 20.11 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0658 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 8.78 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 7.741

log Kow used: 4.42 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 76.096 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 8.71E-004 atm-m3/mole (8.82E+001 Pa-m3/mole)

Group Method: 1.47E-004 atm-m3/mole (1.49E+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: 2.195E-003 atm-m3/mole (2.224E+002 Pa-m3/mole)

VP: 0.0658 mm Hg (source: MPBPVP)

WS: 7.74 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.42 (KowWin est)

Log Kaw used: -1.448 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.868

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6443

Biowin2 (Non-Linear Model) : 0.9294

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6935 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6401 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6445

Biowin6 (MITI Non-Linear Model): 0.6539

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1527

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): 8.32 Pa (0.0624 mm Hg)

Log Koa (Koawin est ): 5.868

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

Mackay model : 3.61E-007

Octanol/air (Koa) model: 1.81E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.3E-005

Mackay model : 2.88E-005

Octanol/air (Koa) model: 1.45E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 60.5105 E-12 cm3/molecule-sec

Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.121 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):

2.09E-005 (Junge-Pankow, Mackay avg)

1.45E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 443.9 L/kg (MCI method)

Log Koc: 2.647 (MCI method)

Koc : 2015 L/kg (Kow method)

Log Koc: 3.304 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.022E-002 L/mol-sec

Kb Half-Life at pH 8: 2.148 years

Kb Half-Life at pH 7: 21.483 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.581 (BCF = 380.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4116 days (HL = 0.3876 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.191 (BCF = 155.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.191 (BAF = 155.3)

log Kow used: 4.42 (estimated)

Volatilization from Water:

Henry LC: 0.000147 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 7.01 hours

Half-Life from Model Lake : 193.9 hours (8.081 days)

Removal In Wastewater Treatment:

Total removal: 53.93 percent

Total biodegradation: 0.47 percent

Total sludge adsorption: 50.28 percent

Total to Air: 3.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.287 3.58 1000

Water 15.2 900 1000

Soil 84.1 1.8e+003 1000

Sediment 0.374 8.1e+003 0

Persistence Time: 849 hr

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