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CAS Number: 75587-06-3

SMILES : CCCCCCCCCC(=O)OOCC

CHEM : ethyl decaneperoxoate

MOL FOR: C12 H24 O3

MOL WT : 216.32

------------------------------ 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) = 4.49

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

Boiling Pt (deg C): 265.54 (Adapted Stein & Brown method)

Melting Pt (deg C): 28.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.011 (Modified Grain method)

VP (Pa, 25 deg C) : 1.47 (Modified Grain method)

Subcooled liquid VP: 0.0119 mm Hg (25 deg C, Mod-Grain method)

: 1.59 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 5.239

log Kow used: 4.49 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.8345 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Peroxy Esters

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

Bond Method : 5.69E-003 atm-m3/mole (5.76E+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: 5.976E-004 atm-m3/mole (6.055E+001 Pa-m3/mole)

VP: 0.011 mm Hg (source: MPBPVP)

WS: 5.24 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.49 (KowWin est)

Log Kaw used: -0.633 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.123

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7530

Biowin2 (Non-Linear Model) : 0.8558

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0195 (weeks )

Biowin4 (Primary Survey Model) : 3.8047 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5141

Biowin6 (MITI Non-Linear Model): 0.5461

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5931

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): 1.59 Pa (0.0119 mm Hg)

Log Koa (Koawin est ): 5.123

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

Mackay model : 1.89E-006

Octanol/air (Koa) model: 3.26E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.83E-005

Mackay model : 0.000151

Octanol/air (Koa) model: 2.61E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.2518 E-12 cm3/molecule-sec

Half-Life = 0.951 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.407 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00011 (Junge-Pankow, Mackay avg)

2.61E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 638 L/kg (MCI method)

Log Koc: 2.805 (MCI method)

Koc : 1511 L/kg (Kow method)

Log Koc: 3.179 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.402E+002 L/mol-sec

Kb Half-Life at pH 8: 48.089 minutes

Kb Half-Life at pH 7: 8.015 hours

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.257 (BCF = 18.08 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0311 days (HL = 1.074 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.598 (BCF = 396.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.599 (BAF = 396.9)

log Kow used: 4.49 (estimated)

Volatilization from Water:

Henry LC: 0.00569 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.652 hours

Half-Life from Model Lake : 141.3 hours (5.89 days)

Removal In Wastewater Treatment:

Total removal: 80.93 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 42.37 percent

Total to Air: 38.27 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 7.81 22.8 1000

Water 29.1 360 1000

Soil 62.4 720 1000

Sediment 0.699 3.24e+003 0

Persistence Time: 217 hr

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