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CAS Number: 9014-92-0
SMILES : CCCCCCCCCCCCc(cc1)ccc1OCCOCCOCCOCCOCCO
CHEM : Poly(oxy-1,2-ethanediyl), -(dodecylphenyl)- -hydroxy-
MOL FOR: C28 H50 O6
MOL WT : 482.71
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.95
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 545.50 (Adapted Stein & Brown method)
Melting Pt (deg C): 232.50 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.34E-014 (Modified Grain method)
VP (Pa, 25 deg C) : 5.79E-012 (Modified Grain method)
Subcooled liquid VP: 7.43E-012 mm Hg (25 deg C, Mod-Grain method)
: 9.91E-010 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.02469
log Kow used: 5.95 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.15481 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.25E-014 atm-m3/mole (2.28E-009 Pa-m3/mole)
Group Method: 7.39E-017 atm-m3/mole (7.48E-012 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: 1.116E-012 atm-m3/mole (1.131E-007 Pa-m3/mole)
VP: 4.34E-014 mm Hg (source: MPBPVP)
WS: 0.0247 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.95 (KowWin est)
Log Kaw used: -12.036 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.986
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.4180
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4231 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5195 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6042
Biowin6 (MITI Non-Linear Model): 0.3668
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2632
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): 9.91E-010 Pa (7.43E-012 mm Hg)
Log Koa (Koawin est ): 17.986
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.03E+003
Octanol/air (Koa) model: 2.38E+005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 108.6122 E-12 cm3/molecule-sec
Half-Life = 0.098 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.182 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8081 L/kg (MCI method)
Log Koc: 3.907 (MCI method)
Koc : 3150 L/kg (Kow method)
Log Koc: 3.498 (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 v3.01):
Log BCF from regression-based method = 1.964 (BCF = 92.09 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1193 days (HL = 1.316 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.665 (BCF = 462.6)
Log BAF Arnot-Gobas method (upper trophic) = 2.699 (BAF = 499.7)
log Kow used: 5.95 (estimated)
Volatilization from Water:
Henry LC: 7.39E-017 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.741E+013 hours (7.253E+011 days)
Half-Life from Model Lake : 1.899E+014 hours (7.912E+012 days)
Removal In Wastewater Treatment:
Total removal: 91.93 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 91.16 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 9.58e-005 2.36 1000
Water 10.5 900 1000
Soil 84.8 1.8e+003 1000
Sediment 4.72 8.1e+003 0
Persistence Time: 1.93e+003 hr