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CAS Number: 61790-81-6
SMILES : C12(C)C(C3C(C4(C)C(=CC3)CC(OCCOCCOCCOCCOCCO)CC4)CC1)CCC2C(C)CCCC(C)C
CHEM : Lanolin, ethoxylated
MOL FOR: C37 H66 O6
MOL WT : 606.94
------------------------------ 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) = 7.37
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 612.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 265.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.34E-016 (Modified Grain method)
VP (Pa, 25 deg C) : 1.79E-014 (Modified Grain method)
Subcooled liquid VP: 5.78E-014 mm Hg (25 deg C, Mod-Grain method)
: 7.71E-012 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0002397
log Kow used: 7.37 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.056988 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.52E-013 atm-m3/mole (1.54E-008 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.464E-013 atm-m3/mole (4.524E-008 Pa-m3/mole)
VP: 1.34E-016 mm Hg (source: MPBPVP)
WS: 0.00024 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.37 (KowWin est)
Log Kaw used: -11.207 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 18.577
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.4873
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.5503 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.7459 (weeks-months)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0204
Biowin6 (MITI Non-Linear Model): 0.0009
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.2139
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): 7.71E-012 Pa (5.78E-014 mm Hg)
Log Koa (Koawin est ): 18.577
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.89E+005
Octanol/air (Koa) model: 9.27E+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 = 204.0311 E-12 cm3/molecule-sec
Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.629 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
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 : 5.789E+005 L/kg (MCI method)
Log Koc: 5.763 (MCI method)
Koc : 1.372E+004 L/kg (Kow method)
Log Koc: 4.137 (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 = 3.348 (BCF = 2228 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4179 days (HL = 26.17 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.176 (BCF = 1500)
Log BAF Arnot-Gobas method (upper trophic) = 5.548 (BAF = 3.534e+005)
log Kow used: 7.37 (estimated)
Volatilization from Water:
Henry LC: 1.52E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.489E+009 hours (3.954E+008 days)
Half-Life from Model Lake : 1.035E+011 hours (4.313E+009 days)
Removal In Wastewater Treatment:
Total removal: 93.95 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.18 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 0.0051 0.94 1000
Water 1.91 4.32e+003 1000
Soil 51.1 8.64e+003 1000
Sediment 47 3.89e+004 0
Persistence Time: 8.4e+003 hr