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CAS Number: 929-56-6


CHEM : 1-methoxyoctane

MOL FOR: C9 H20 O1

MOL WT : 144.26

------------------------------ 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) = 3.50

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

Boiling Pt (deg C): 165.43 (Adapted Stein & Brown method)

Melting Pt (deg C): -38.40 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.57 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 343 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 81.64

log Kow used: 3.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 191.11 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.27E-003 atm-m3/mole (6.35E+002 Pa-m3/mole)

Group Method: 5.35E-003 atm-m3/mole (5.42E+002 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: 5.975E-003 atm-m3/mole (6.055E+002 Pa-m3/mole)

VP: 2.57 mm Hg (source: MPBPVP)

WS: 81.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.50 (KowWin est)

Log Kaw used: -0.591 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.091

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4399

Biowin2 (Non-Linear Model) : 0.3485

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1700 (weeks )

Biowin4 (Primary Survey Model) : 3.8989 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6312

Biowin6 (MITI Non-Linear Model): 0.7857

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2839

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): 313 Pa (2.35 mm Hg)

Log Koa (Koawin est ): 4.091

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

Mackay model : 9.57E-009

Octanol/air (Koa) model: 3.03E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.46E-007

Mackay model : 7.66E-007

Octanol/air (Koa) model: 2.42E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.8266 E-12 cm3/molecule-sec

Half-Life = 0.568 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.818 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.56E-007 (Junge-Pankow, Mackay avg)

2.42E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 195 L/kg (MCI method)

Log Koc: 2.290 (MCI method)

Koc : 589.5 L/kg (Kow method)

Log Koc: 2.770 (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 = 1.979 (BCF = 95.37 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1595 days (HL = 0.6927 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.194 (BCF = 156.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.194 (BAF = 156.2)

log Kow used: 3.50 (estimated)

Volatilization from Water:

Henry LC: 0.00535 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.357 hours

Half-Life from Model Lake : 115.5 hours (4.813 days)

Removal In Wastewater Treatment:

Total removal: 70.29 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 8.89 percent

Total to Air: 61.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 8.96 13.6 1000

Water 45.7 360 1000

Soil 44.9 720 1000

Sediment 0.428 3.24e+003 0

Persistence Time: 139 hr

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