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CAS Num: 067715-79-1

SMILES : O(C(OCC(OC(OCC)C)C)C)CC

CHEM : 3,5,8,10-Tetraoxadodecane, 4,6,9-trimethyl-

MOL FOR: C11 H24 O4

MOL WT : 220.31

------------------------------ 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) = 1.50

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

Boiling Pt (deg C): 231.35 (Adapted Stein & Brown method)

Melting Pt (deg C): 2.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.113 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 15 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1782

log Kow used: 1.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 24918 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.79E-008 atm-m3/mole (3.84E-003 Pa-m3/mole)

Group Method: 5.48E-008 atm-m3/mole (5.55E-003 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: 1.838E-005 atm-m3/mole (1.863E+000 Pa-m3/mole)

VP: 0.113 mm Hg (source: MPBPVP)

WS: 1.78E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.50 (KowWin est)

Log Kaw used: -5.810 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.310

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.7468

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6776 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4909 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0609

Biowin6 (MITI Non-Linear Model): 0.0401

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0104

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): 14.3 Pa (0.107 mm Hg)

Log Koa (Koawin est ): 7.310

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

Mackay model : 2.1E-007

Octanol/air (Koa) model: 5.01E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.6E-006

Mackay model : 1.68E-005

Octanol/air (Koa) model: 0.000401

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 48.6131 E-12 cm3/molecule-sec

Half-Life = 0.220 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.640 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.22E-005 (Junge-Pankow, Mackay avg)

0.000401 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 24.68 L/kg (Kow method)

Log Koc: 1.392 (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 = 0.659 (BCF = 4.563 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9619 days (HL = 0.1092 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.546 (BCF = 3.514)

Log BAF Arnot-Gobas method (upper trophic) = 0.546 (BAF = 3.514)

log Kow used: 1.50 (estimated)

Volatilization from Water:

Henry LC: 3.79E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.293E+004 hours (955.5 days)

Half-Life from Model Lake : 2.503E+005 hours (1.043E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.98 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.88 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.207 5.28 1000

Water 39.6 900 1000

Soil 60.1 1.8e+003 1000

Sediment 0.0945 8.1e+003 0

Persistence Time: 816 hr

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