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CAS Num: 072987-59-8
SMILES : O(C(O)COc(ccc(c1)C)c1)CCc(cccc2)c2
CHEM : Ethanol, 2-(4-methylphenoxy)-1-(2-phenylethoxy)-
MOL FOR: C17 H20 O3
MOL WT : 272.35
------------------------------ 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) = 3.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 385.48 (Adapted Stein & Brown method)
Melting Pt (deg C): 128.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.5E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 6E-006 (Modified Grain method)
Subcooled liquid VP: 4.92E-007 mm Hg (25 deg C, Mod-Grain method)
: 6.56E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 154.9
log Kow used: 3.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 108.64 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.14E-011 atm-m3/mole (2.17E-006 Pa-m3/mole)
Group Method: 1.65E-010 atm-m3/mole (1.68E-005 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: 1.041E-010 atm-m3/mole (1.055E-005 Pa-m3/mole)
VP: 4.5E-008 mm Hg (source: MPBPVP)
WS: 155 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.01 (KowWin est)
Log Kaw used: -9.058 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.068
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7986
Biowin2 (Non-Linear Model) : 0.8841
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5628 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5195 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3676
Biowin6 (MITI Non-Linear Model): 0.2509
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3585
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): 6.56E-005 Pa (4.92E-007 mm Hg)
Log Koa (Koawin est ): 12.068
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0457
Octanol/air (Koa) model: 0.287
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.623
Mackay model : 0.785
Octanol/air (Koa) model: 0.958
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 99.7119 E-12 cm3/molecule-sec
Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.287 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.704 (Junge-Pankow, Mackay avg)
0.958 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 641.5 L/kg (MCI method)
Log Koc: 2.807 (MCI method)
Koc : 139.3 L/kg (Kow method)
Log Koc: 2.144 (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 = 1.396 (BCF = 24.87 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7370 days (HL = 0.1832 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.643 (BCF = 43.94)
Log BAF Arnot-Gobas method (upper trophic) = 1.643 (BAF = 43.94)
log Kow used: 3.01 (estimated)
Volatilization from Water:
Henry LC: 1.65E-010 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.856E+006 hours (2.44E+005 days)
Half-Life from Model Lake : 6.388E+007 hours (2.662E+006 days)
Removal In Wastewater Treatment:
Total removal: 5.78 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.65 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 0.00346 2.58 1000
Water 12.4 900 1000
Soil 87.1 1.8e+003 1000
Sediment 0.44 8.1e+003 0
Persistence Time: 1.77e+003 hr