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CAS Num: 000104-45-0

SMILES : O(c(ccc(c1)CCC)c1)C

CHEM : Benzene, 1-methoxy-4-propyl-

MOL FOR: C10 H14 O1

MOL WT : 150.22

------------------------------ 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) = 3.60

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

Boiling Pt (deg C): 211.38 (Adapted Stein & Brown method)

Melting Pt (deg C): 0.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.202 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 27 (Mean VP of Antoine & Grain methods)

BP (exp database): 211.5 deg C

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

Water Solubility at 25 deg C (mg/L): 63.36

log Kow used: 3.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 30.478 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.20E-004 atm-m3/mole (6.28E+001 Pa-m3/mole)

Group Method: 1.02E-002 atm-m3/mole (1.03E+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: 6.302E-004 atm-m3/mole (6.385E+001 Pa-m3/mole)

VP: 0.202 mm Hg (source: MPBPVP)

WS: 63.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.60 (KowWin est)

Log Kaw used: -1.596 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.196

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8626

Biowin2 (Non-Linear Model) : 0.9759

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7342 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6396 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4879

Biowin6 (MITI Non-Linear Model): 0.5832

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3774

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): 24.9 Pa (0.187 mm Hg)

Log Koa (Koawin est ): 5.196

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

Mackay model : 1.2E-007

Octanol/air (Koa) model: 3.85E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.35E-006

Mackay model : 9.63E-006

Octanol/air (Koa) model: 3.08E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 29.4932 E-12 cm3/molecule-sec

Half-Life = 0.363 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.352 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.99E-006 (Junge-Pankow, Mackay avg)

3.08E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 521 L/kg (MCI method)

Log Koc: 2.717 (MCI method)

Koc : 938.2 L/kg (Kow method)

Log Koc: 2.972 (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 = 2.045 (BCF = 110.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1095 days (HL = 1.287 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.376 (BCF = 237.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.376 (BAF = 237.7)

log Kow used: 3.60 (estimated)

Volatilization from Water:

Henry LC: 0.0102 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.321 hours

Half-Life from Model Lake : 117.2 hours (4.883 days)

Removal In Wastewater Treatment:

Total removal: 81.54 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 9.86 percent

Total to Air: 71.61 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.03 8.7 1000

Water 43.5 900 1000

Soil 50.2 1.8e+003 1000

Sediment 1.25 8.1e+003 0

Persistence Time: 183 hr

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