SMILES : CCOCc1cc(c(cc1)O)OC
CHEM : 4-(ethoxymethyl)-2-methoxyphenol
MOL FOR: C10 H14 O3
MOL WT : 182.22
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 1.61
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 282.35 (Adapted Stein & Brown method)
Melting Pt (deg C): 75.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000596 (Modified Grain method)
Subcooled liquid VP: 0.0018 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2262
log Kow used: 1.61 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 19776 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 5.69E-010 atm-m3/mole
Group Method: 8.68E-010 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 6.317E-008 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.61 (KowWin est)
Log Kaw used: -7.633 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.243
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5612
Biowin2 (Non-Linear Model) : 0.5371
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7861 (weeks )
Biowin4 (Primary Survey Model) : 3.6919 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4502
Biowin6 (MITI Non-Linear Model): 0.4190
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4108
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): 0.24 Pa (0.0018 mm Hg)
Log Koa (Koawin est ): 9.243
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.25E-005
Octanol/air (Koa) model: 0.00043
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000451
Mackay model : 0.000999
Octanol/air (Koa) model: 0.0332
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 49.6262 E-12 cm3/molecule-sec
Half-Life = 0.216 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.586 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.000725 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 112.8
Log Koc: 2.052
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.540 (BCF = 3.469)
log Kow used: 1.61 (estimated)
Volatilization from Water:
Henry LC: 8.68E-010 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.366E+006 hours (5.691E+004 days)
Half-Life from Model Lake : 9.933E+006 hours (4.139E+005 days)
Removal In Wastewater Treatment:
Total removal: 2.01 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.92 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 0.0173 5.17 1000
Water 27.9 360 1000
Soil 72 720 1000
Sediment 0.0707 3.24e+003 0
Persistence Time: 652 hr