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CAS Num: 000622-60-6

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

CHEM : Benzene, 1-ethoxy-4-methyl-

MOL FOR: C9 H12 O1

MOL WT : 136.20

------------------------------ 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) = 3.11

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

Boiling Pt (deg C): 191.54 (Adapted Stein & Brown method)

Melting Pt (deg C): -11.31 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.638 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 85 (Mean VP of Antoine & Grain methods)

BP (exp database): 188.5 deg C

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

Water Solubility at 25 deg C (mg/L): 190.9

log Kow used: 3.11 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 95.154 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.67E-004 atm-m3/mole (4.73E+001 Pa-m3/mole)

Group Method: 6.29E-003 atm-m3/mole (6.37E+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: 5.989E-004 atm-m3/mole (6.069E+001 Pa-m3/mole)

VP: 0.638 mm Hg (source: MPBPVP)

WS: 191 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.11 (KowWin est)

Log Kaw used: -1.719 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.829

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8693

Biowin2 (Non-Linear Model) : 0.9802

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7652 (weeks )

Biowin4 (Primary Survey Model) : 3.6598 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6263

Biowin6 (MITI Non-Linear Model): 0.7601

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2070

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): 77.3 Pa (0.58 mm Hg)

Log Koa (Koawin est ): 4.829

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

Mackay model : 3.88E-008

Octanol/air (Koa) model: 1.66E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.4E-006

Mackay model : 3.1E-006

Octanol/air (Koa) model: 1.32E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.6703 E-12 cm3/molecule-sec

Half-Life = 0.327 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.929 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.25E-006 (Junge-Pankow, Mackay avg)

1.32E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 273.1 L/kg (MCI method)

Log Koc: 2.436 (MCI method)

Koc : 502.6 L/kg (Kow method)

Log Koc: 2.701 (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 = 1.720 (BCF = 52.54 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0012 days (HL = 0.9973 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.014 (BCF = 103.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.014 (BAF = 103.2)

log Kow used: 3.11 (estimated)

Volatilization from Water:

Henry LC: 0.00629 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.3 hours

Half-Life from Model Lake : 112 hours (4.668 days)

Removal In Wastewater Treatment:

Total removal: 72.18 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 4.16 percent

Total to Air: 67.96 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.36 7.86 1000

Water 44.4 360 1000

Soil 49.7 720 1000

Sediment 0.537 3.24e+003 0

Persistence Time: 142 hr

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