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CAS Num: 003587-64-2

SMILES : OC(C)(C)COC

CHEM : 2-PROPANOL, 1-METHOXY-2-METHYL-

MOL FOR: C5 H12 O2

MOL WT : 104.15

------------------------------ 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) = -0.04

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

Boiling Pt (deg C): 119.74 (Adapted Stein & Brown method)

Melting Pt (deg C): -42.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.09 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 945 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 3.943e+005

log Kow used: -0.04 (estimated)

no-melting pt equation used

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 : 7.38E-008 atm-m3/mole (7.47E-003 Pa-m3/mole)

Group Method: 1.65E-008 atm-m3/mole (1.68E-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: 2.464E-006 atm-m3/mole (2.497E-001 Pa-m3/mole)

VP: 7.09 mm Hg (source: MPBPVP)

WS: 3.94E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.04 (KowWin est)

Log Kaw used: -5.520 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.480

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1667

Biowin2 (Non-Linear Model) : 0.0260

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7482 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5343 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5220

Biowin6 (MITI Non-Linear Model): 0.5741

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0319

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): 869 Pa (6.52 mm Hg)

Log Koa (Koawin est ): 5.480

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

Mackay model : 3.45E-009

Octanol/air (Koa) model: 7.41E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.25E-007

Mackay model : 2.76E-007

Octanol/air (Koa) model: 5.93E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.6533 E-12 cm3/molecule-sec

Half-Life = 0.452 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.426 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2E-007 (Junge-Pankow, Mackay avg)

5.93E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.013 L/kg (MCI method)

Log Koc: 0.006 (MCI method)

Koc : 2.517 L/kg (Kow method)

Log Koc: 0.401 (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) = -1.3773 days (HL = 0.04195 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.020 (BCF = 0.9545)

Log BAF Arnot-Gobas method (upper trophic) = -0.020 (BAF = 0.9545)

log Kow used: -0.04 (estimated)

Volatilization from Water:

Henry LC: 1.65E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.621E+004 hours (1509 days)

Half-Life from Model Lake : 3.951E+005 hours (1.646E+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 0.181 10.9 1000

Water 46.6 900 1000

Soil 53.1 1.8e+003 1000

Sediment 0.0916 8.1e+003 0

Persistence Time: 860 hr

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