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CAS Number: 68439-46-3
SMILES : CCCCCCCCCCOCCOCCOCCOCCOCCO
CHEM : Alcohols, C9-11, ethoxylated
MOL FOR: C20 H42 O6
MOL WT : 378.55
------------------------------ 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) = 2.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 438.14 (Adapted Stein & Brown method)
Melting Pt (deg C): 166.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.242 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 32.3 (Mean VP of Antoine & Grain methods)
MP (exp database): -20 deg C
BP (exp database): 180 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 116.2
log Kow used: 2.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1892.1 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.13E-014 atm-m3/mole (3.17E-009 Pa-m3/mole)
Group Method: 3.46E-018 atm-m3/mole (3.50E-013 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: 1.037E-003 atm-m3/mole (1.051E+002 Pa-m3/mole)
VP: 0.242 mm Hg (source: MPBPVP)
WS: 116 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.42 (KowWin est)
Log Kaw used: -11.893 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.313
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.9023
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7776 (weeks )
Biowin4 (Primary Survey Model) : 3.6514 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6937
Biowin6 (MITI Non-Linear Model): 0.5611
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2209
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): 28.8 Pa (0.216 mm Hg)
Log Koa (Koawin est ): 14.313
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.04E-007
Octanol/air (Koa) model: 50.5
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.76E-006
Mackay model : 8.33E-006
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 88.0542 E-12 cm3/molecule-sec
Half-Life = 0.121 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.458 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.05E-006 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 45.3 L/kg (MCI method)
Log Koc: 1.656 (MCI method)
Koc : 25.07 L/kg (Kow method)
Log Koc: 1.399 (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 = 1.261 (BCF = 18.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1346 days (HL = 0.07334 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.127 (BCF = 13.39)
Log BAF Arnot-Gobas method (upper trophic) = 1.127 (BAF = 13.39)
log Kow used: 2.42 (estimated)
Volatilization from Water:
Henry LC: 3.46E-018 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 3.292E+014 hours (1.372E+013 days)
Half-Life from Model Lake : 3.592E+015 hours (1.496E+014 days)
Removal In Wastewater Treatment:
Total removal: 2.89 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.79 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 6.61e-011 2.92 1000
Water 22.3 360 1000
Soil 77.6 720 1000
Sediment 0.0827 3.24e+003 0
Persistence Time: 714 hr