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CAS Number: 4542-57-8


CHEM : Dodecane, 1,1'-oxybis-

MOL FOR: C24 H50 O1

MOL WT : 354.67

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 10.87

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

Boiling Pt (deg C): 392.89 (Adapted Stein & Brown method)

Melting Pt (deg C): 112.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.96E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000528 (Modified Grain method)

Subcooled liquid VP: 2.88E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00384 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.019e-006

log Kow used: 10.87 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.1368e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.39E-001 atm-m3/mole (4.45E+004 Pa-m3/mole)

Group Method: 9.09E-001 atm-m3/mole (9.21E+004 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: 6.121E-001 atm-m3/mole (6.202E+004 Pa-m3/mole)

VP: 3.96E-006 mm Hg (source: MPBPVP)

WS: 3.02E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.87 (KowWin est)

Log Kaw used: 1.254 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.616

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4482

Biowin2 (Non-Linear Model) : 0.1456

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0034 (weeks )

Biowin4 (Primary Survey Model) : 3.8644 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7465

Biowin6 (MITI Non-Linear Model): 0.8412

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3560

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): 0.00384 Pa (2.88E-005 mm Hg)

Log Koa (Koawin est ): 9.616

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

Mackay model : 0.000781

Octanol/air (Koa) model: 0.00101

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0274

Mackay model : 0.0588

Octanol/air (Koa) model: 0.075

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 47.2983 E-12 cm3/molecule-sec

Half-Life = 0.226 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.714 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0431 (Junge-Pankow, Mackay avg)

0.075 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.584E+006 L/kg (MCI method)

Log Koc: 6.200 (MCI method)

Koc : 7.031E+006 L/kg (Kow method)

Log Koc: 6.847 (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 v3.01):

Log BCF from regression-based method = 1.631 (BCF = 42.72 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.9620 days (HL = 91.61 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.464 (BCF = 2.912)

Log BAF Arnot-Gobas method (upper trophic) = 3.647 (BAF = 4440)

log Kow used: 10.87 (estimated)

Volatilization from Water:

Henry LC: 0.909 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.923 hours

Half-Life from Model Lake : 178.9 hours (7.454 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 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 0.605 5.43 1000

Water 26.2 360 1000

Soil 72.8 720 1000

Sediment 0.331 3.24e+003 0

Persistence Time: 434 hr

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