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CAS Num: 000110-98-5

SMILES : O(CC(O)C)CC(O)C

CHEM : 2-Propanol, 1,1 -oxybis-

MOL FOR: C6 H14 O3

MOL WT : 134.18

------------------------------ 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) = -0.64

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

Boiling Pt (deg C): 218.79 (Adapted Stein & Brown method)

Melting Pt (deg C): 6.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0073 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.973 (Mean VP of Antoine & Grain methods)

MP (exp database): <-40 deg C

BP (exp database): 230.5 deg C

VP (exp database): 3.19E-02 mm Hg (4.25E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 3.107e+005

log Kow used: -0.64 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.1 mg/L ( deg C)

Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)

Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)

Exper. Ref: HANN,RWJR & JENSEN,PA (1977)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+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 : 3.58E-009 atm-m3/mole (3.63E-004 Pa-m3/mole)

Group Method: 6.58E-013 atm-m3/mole (6.67E-008 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: 4.148E-009 atm-m3/mole (4.203E-004 Pa-m3/mole)

VP: 0.0073 mm Hg (source: MPBPVP)

WS: 3.11E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.64 (KowWin est)

Log Kaw used: -6.835 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.195

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6538

Biowin2 (Non-Linear Model) : 0.4774

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2139 (weeks )

Biowin4 (Primary Survey Model) : 3.9033 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6350

Biowin6 (MITI Non-Linear Model): 0.7776

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4055

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): 4.25 Pa (0.0319 mm Hg)

Log Koa (Koawin est ): 6.195

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

Mackay model : 7.05E-007

Octanol/air (Koa) model: 3.85E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.55E-005

Mackay model : 5.64E-005

Octanol/air (Koa) model: 3.08E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 31.3336 E-12 cm3/molecule-sec

Half-Life = 0.341 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.096 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.09E-005 (Junge-Pankow, Mackay avg)

3.08E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 0.4546 L/kg (Kow method)

Log Koc: -0.342 (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) = -2.0677 days (HL = 0.008556 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8993)

Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.8993)

log Kow used: -0.64 (estimated)

Volatilization from Water:

Henry LC: 3.58E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.894E+005 hours (7893 days)

Half-Life from Model Lake : 2.067E+006 hours (8.611E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.0771 8.19 1000

Water 38.4 360 1000

Soil 61.5 720 1000

Sediment 0.0718 3.24e+003 0

Persistence Time: 559 hr

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