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CAS Number: 183476-82-6
SMILES : CCCCCCCCC(CCCCCC)C(=O)OCC(C1C(=C(C(=O)O1)OC(=O)C(CCCCCC)CCCCCCCC)OC(=
O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC
CHEM :
MOL FOR: C70 H128 O10
MOL WT : 1129.80
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 25.80
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 1040.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.23E-026 (Modified Grain method)
VP (Pa, 25 deg C) : 1.64E-024 (Modified Grain method)
Subcooled liquid VP: 6.32E-023 mm Hg (25 deg C, Mod-Grain method)
: 8.42E-021 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3.924e-024
log Kow used: 25.80 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.1298e-006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.45E-006 atm-m3/mole (9.57E-001 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: 3.788E+008 atm-m3/mole (3.839E+013 Pa-m3/mole)
VP: 1E-015 mm Hg (source: MPBPVP)
WS: 3.92E-024 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 25.80 (KowWin est)
Log Kaw used: -3.413 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 29.213
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.9480
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.7902 (days )
Biowin4 (Primary Survey Model) : 5.5151 (hours )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.2534
Biowin6 (MITI Non-Linear Model): 0.9378
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9994
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): 8.43E-021 Pa (6.32E-023 mm Hg)
Log Koa (Koawin est ): 29.213
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.56E+014
Octanol/air (Koa) model: 4.01E+016
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 = 118.1678 E-12 cm3/molecule-sec
Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.086 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 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 : 1E+010 L/kg (MCI method)
Log Koc: 18.367 (MCI method)
Koc : 1.161E+015 L/kg (Kow method)
Log Koc: 15.065 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 8.145E-003 L/mol-sec
Kb Half-Life at pH 8: 2.697 years
Kb Half-Life at pH 7: 26.966 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.1670 days (HL = 146.9 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: 25.80 (estimated)
Volatilization from Water:
Henry LC: 9.45E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 211.7 hours (8.82 days)
Half-Life from Model Lake : 2591 hours (108 days)
Removal In Wastewater Treatment:
Total removal: 94.04 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 1.03 1.99 1000
Water 30 55.9 1000
Soil 68.9 112 1000
Sediment 5.04e-013 503 0
Persistence Time: 83.5 hr