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CAS Number: 111109-77-4


CHEM : Propane, oxybis(methoxy-

MOL FOR: C8 H18 O3

MOL WT : 162.23

------------------------------ 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) = 0.50

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

Boiling Pt (deg C): 187.99 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.912 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 122 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.499e+004

log Kow used: 0.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.6211e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.67E-007 atm-m3/mole (3.72E-002 Pa-m3/mole)

Group Method: 4.55E-009 atm-m3/mole (4.62E-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: 7.790E-006 atm-m3/mole (7.893E-001 Pa-m3/mole)

VP: 0.912 mm Hg (source: MPBPVP)

WS: 2.5E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.50 (KowWin est)

Log Kaw used: -4.824 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.324

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.3718

Biowin2 (Non-Linear Model) : 0.0001

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8147 (weeks )

Biowin4 (Primary Survey Model) : 3.5845 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5312

Biowin6 (MITI Non-Linear Model): 0.5341

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0611

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): 111 Pa (0.834 mm Hg)

Log Koa (Koawin est ): 5.324

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

Mackay model : 2.7E-008

Octanol/air (Koa) model: 5.18E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.74E-007

Mackay model : 2.16E-006

Octanol/air (Koa) model: 4.14E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.6132 E-12 cm3/molecule-sec

Half-Life = 0.318 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.818 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.57E-006 (Junge-Pankow, Mackay avg)

4.14E-006 (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 : 8.509 L/kg (Kow method)

Log Koc: 0.930 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2104 days (HL = 0.0616 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.054 (BCF = 1.132)

Log BAF Arnot-Gobas method (upper trophic) = 0.054 (BAF = 1.132)

log Kow used: 0.50 (estimated)

Volatilization from Water:

Henry LC: 4.55E-009 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.639E+005 hours (6829 days)

Half-Life from Model Lake : 1.788E+006 hours (7.45E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.86 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 0.0873 7.64 1000

Water 31.4 360 1000

Soil 68.4 720 1000

Sediment 0.0708 3.24e+003 0

Persistence Time: 600 hr

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