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CAS Num: 000512-85-6


CHEM : Ascaridole

MOL FOR: C10 H16 O2

MOL WT : 168.24

------------------------------ 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) = 3.57

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

Boiling Pt (deg C): 196.51 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.611 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 81.4 (Mean VP of Antoine & Grain methods)

MP (exp database): 3.3 deg C

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

Water Solubility at 25 deg C (mg/L): 55.5

log Kow used: 3.57 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 27.367 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Peroxy Acids

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

Bond Method : 3.60E-003 atm-m3/mole (3.65E+002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.437E-003 atm-m3/mole (2.469E+002 Pa-m3/mole)

VP: 0.611 mm Hg (source: MPBPVP)

WS: 55.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.57 (KowWin est)

Log Kaw used: -0.832 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.402

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2996

Biowin2 (Non-Linear Model) : 0.0559

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4031 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2981 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3493

Biowin6 (MITI Non-Linear Model): 0.2603

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6240

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): 74.7 Pa (0.56 mm Hg)

Log Koa (Koawin est ): 4.402

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

Mackay model : 4.02E-008

Octanol/air (Koa) model: 6.19E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.45E-006

Mackay model : 3.21E-006

Octanol/air (Koa) model: 4.96E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 62.1141 E-12 cm3/molecule-sec

Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.066 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

2.33E-006 (Junge-Pankow, Mackay avg)

4.96E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3167 L/kg (MCI method)

Log Koc: 3.501 (MCI method)

Koc : 1253 L/kg (Kow method)

Log Koc: 3.098 (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 = 2.026 (BCF = 106.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1153 days (HL = 1.304 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.362 (BCF = 230.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.362 (BAF = 230.2)

log Kow used: 3.57 (estimated)

Volatilization from Water:

Henry LC: 0.0036 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.535 hours

Half-Life from Model Lake : 125.5 hours (5.229 days)

Removal In Wastewater Treatment:

Total removal: 62.85 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 10.74 percent

Total to Air: 52.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.517 4.03 1000

Water 12.1 900 1000

Soil 85.2 1.8e+003 1000

Sediment 2.19 8.1e+003 0

Persistence Time: 673 hr

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