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CAS Number: 68476-04-0
SMILES : CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO
CHEM : Fatty acids, montan-wax, ethoxylated
MOL FOR: C35 H70 O7
MOL WT : 602.94
------------------------------ 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) = 9.60
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 626.32 (Adapted Stein & Brown method)
Melting Pt (deg C): 271.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.18E-017 (Modified Grain method)
VP (Pa, 25 deg C) : 5.57E-015 (Modified Grain method)
Subcooled liquid VP: 2.16E-014 mm Hg (25 deg C, Mod-Grain method)
: 2.88E-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): 3.169e-006
log Kow used: 9.60 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.828e-005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.36E-013 atm-m3/mole (3.40E-008 Pa-m3/mole)
Group Method: 1.07E-016 atm-m3/mole (1.08E-011 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: 1.046E-011 atm-m3/mole (1.060E-006 Pa-m3/mole)
VP: 4.18E-017 mm Hg (source: MPBPVP)
WS: 3.17E-006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 9.60 (KowWin est)
Log Kaw used: -10.862 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 20.462
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.4876
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4306 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5664 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0603
Biowin6 (MITI Non-Linear Model): 0.9116
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5721
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): 2.88E-012 Pa (2.16E-014 mm Hg)
Log Koa (Koawin est ): 20.462
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.04E+006
Octanol/air (Koa) model: 7.11E+007
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 = 93.4077 E-12 cm3/molecule-sec
Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.374 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 : 2.217E+005 L/kg (MCI method)
Log Koc: 5.346 (MCI method)
Koc : 2.487E+005 L/kg (Kow method)
Log Koc: 5.396 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.204E-002 L/mol-sec
Kb Half-Life at pH 8: 129.295 days
Kb Half-Life at pH 7: 3.540 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.255 (BCF = 179.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0752 days (HL = 1.189 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.173 (BCF = 1.489)
Log BAF Arnot-Gobas method (upper trophic) = 0.514 (BAF = 3.264)
log Kow used: 9.60 (estimated)
Volatilization from Water:
Henry LC: 1.07E-016 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.344E+013 hours (5.598E+011 days)
Half-Life from Model Lake : 1.466E+014 hours (6.107E+012 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.0379 2.75 1000
Water 13.1 900 1000
Soil 85.9 1.8e+003 1000
Sediment 0.868 8.1e+003 0
Persistence Time: 1.51e+003 hr