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CAS Number: 16090-77-0



MOL FOR: C16 H30 O4

MOL WT : 286.42

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 5.32

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

Boiling Pt (deg C): 321.99 (Adapted Stein & Brown method)

Melting Pt (deg C): 12.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000602 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0803 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.4248

log Kow used: 5.32 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.59012 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 9.42E-006 atm-m3/mole (9.55E-001 Pa-m3/mole)

Group Method: 1.86E-006 atm-m3/mole (1.88E-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: 5.341E-004 atm-m3/mole (5.412E+001 Pa-m3/mole)

VP: 0.000602 mm Hg (source: MPBPVP)

WS: 0.425 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.32 (KowWin est)

Log Kaw used: -3.414 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.734

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1764

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4433 (days-weeks )

Biowin4 (Primary Survey Model) : 4.4306 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1413

Biowin6 (MITI Non-Linear Model): 0.9872

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6971

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): 0.0803 Pa (0.000602 mm Hg)

Log Koa (Koawin est ): 8.734

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

Mackay model : 3.74E-005

Octanol/air (Koa) model: 0.000133

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00135

Mackay model : 0.00298

Octanol/air (Koa) model: 0.0105

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.4990 E-12 cm3/molecule-sec

Half-Life = 0.690 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.281 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00216 (Junge-Pankow, Mackay avg)

0.0105 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1157 L/kg (MCI method)

Log Koc: 3.063 (MCI method)

Koc : 5452 L/kg (Kow method)

Log Koc: 3.737 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.063E-001 L/mol-sec

Kb Half-Life at pH 8: 75.431 days

Kb Half-Life at pH 7: 2.065 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.800 (BCF = 63.11 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3101 days (HL = 0.04896 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.320 (BCF = 20.92)

Log BAF Arnot-Gobas method (upper trophic) = 1.321 (BAF = 20.92)

log Kow used: 5.32 (estimated)

Volatilization from Water:

Henry LC: 1.86E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 534.5 hours (22.27 days)

Half-Life from Model Lake : 5972 hours (248.8 days)

Removal In Wastewater Treatment:

Total removal: 85.55 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 84.81 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.15 16.6 1000

Water 26.8 208 1000

Soil 70.3 416 1000

Sediment 0.73 1.87e+003 0

Persistence Time: 290 hr

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