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CAS Num: 009005-64-5
SMILES : OCCOCCOCCOCCOCCOC1C(OCCOCCOCCOCCOCCO)COC1C(OCCOCCOCCOCCOCCO)COC(=O)(C
CCCCCCCCCC)
CHEM : Sorbitan, monododecanoate, poly(oxy-1,2-ethanediyl) derivs.
MOL FOR: C48 H94 O21
MOL WT : 1007.27
------------------------------ 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) = -2.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 1001.79 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.65E-033 (Modified Grain method)
VP (Pa, 25 deg C) : 1.15E-030 (Modified Grain method)
Subcooled liquid VP: 4.43E-029 mm Hg (25 deg C, Mod-Grain method)
: 5.91E-027 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 15.76
log Kow used: -2.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.19E-040 atm-m3/mole (2.22E-035 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: 8.410E-032 atm-m3/mole (8.521E-027 Pa-m3/mole)
VP: 1E-030 mm Hg (source: MPBPVP)
WS: 15.8 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -2.03 (KowWin est)
Log Kaw used: -38.048 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 36.018
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -4.5310
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7530 (months )
Biowin4 (Primary Survey Model) : 3.1250 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5990
Biowin6 (MITI Non-Linear Model): 0.0044
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.2090
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): 5.91E-027 Pa (4.43E-029 mm Hg)
Log Koa (Koawin est ): 36.018
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.08E+020
Octanol/air (Koa) model: 2.56E+023
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 = 273.2717 E-12 cm3/molecule-sec
Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 28.181 Min
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 : 2.397E+008 L/kg (MCI method)
Log Koc: 8.380 (MCI method)
Koc : 0.01904 L/kg (Kow method)
Log Koc: -1.720 (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 v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -4.5211 days (HL = 3.012e-005 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
log Kow used: -2.03 (estimated)
Volatilization from Water:
Henry LC: 2.19E-040 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.485E+036 hours (3.535E+035 days)
Half-Life from Model Lake : 9.256E+037 hours (3.857E+036 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 3.01e-011 0.939 1000
Water 1.07 1.44e+003 1000
Soil 41.6 2.88e+003 1000
Sediment 57.3 1.3e+004 0
Persistence Time: 6.32e+003 hr