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CAS Num: 015149-10-7
SMILES : O(c(ccc(c1)C)c1)CCO
CHEM : Ethanol, 2-(4-methylphenoxy)-
MOL FOR: C9 H12 O2
MOL WT : 152.19
------------------------------ 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) = 1.65
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 261.19 (Adapted Stein & Brown method)
Melting Pt (deg C): 39.43 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00117 (Modified Grain method)
VP (Pa, 25 deg C) : 0.156 (Modified Grain method)
Subcooled liquid VP: 0.00158 mm Hg (25 deg C, Mod-Grain method)
: 0.21 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 9407
log Kow used: 1.65 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6215.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.71E-008 atm-m3/mole (1.73E-003 Pa-m3/mole)
Group Method: 7.22E-008 atm-m3/mole (7.31E-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: 2.491E-008 atm-m3/mole (2.524E-003 Pa-m3/mole)
VP: 0.00117 mm Hg (source: MPBPVP)
WS: 9.41E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.65 (KowWin est)
Log Kaw used: -6.155 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.805
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0204
Biowin2 (Non-Linear Model) : 0.9918
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8898 (weeks )
Biowin4 (Primary Survey Model) : 3.7662 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7889
Biowin6 (MITI Non-Linear Model): 0.8914
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4454
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): 0.211 Pa (0.00158 mm Hg)
Log Koa (Koawin est ): 7.805
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.42E-005
Octanol/air (Koa) model: 1.57E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000514
Mackay model : 0.00114
Octanol/air (Koa) model: 0.00125
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 37.6656 E-12 cm3/molecule-sec
Half-Life = 0.284 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.408 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000826 (Junge-Pankow, Mackay avg)
0.00125 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 23.94 L/kg (MCI method)
Log Koc: 1.379 (MCI method)
Koc : 30.36 L/kg (Kow method)
Log Koc: 1.482 (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 = 0.498 (BCF = 3.151 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7749 days (HL = 0.1679 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.681 (BCF = 4.803)
Log BAF Arnot-Gobas method (upper trophic) = 0.681 (BAF = 4.803)
log Kow used: 1.65 (estimated)
Volatilization from Water:
Henry LC: 7.22E-008 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.001E+004 hours (416.9 days)
Half-Life from Model Lake : 1.093E+005 hours (4552 days)
Removal In Wastewater Treatment:
Total removal: 2.03 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.93 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 0.496 6.82 1000
Water 31.6 360 1000
Soil 67.9 720 1000
Sediment 0.0894 3.24e+003 0
Persistence Time: 469 hr