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CAS Number: 10605-09-1
SMILES : O1C(=O)C(O)=C(O)C1C(O)COC(=O)CCCCCCCCCCCCCCCCC
CHEM :
MOL FOR: C24 H42 O7
MOL WT : 442.60
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 6.98
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 616.23 (Adapted Stein & Brown method)
Melting Pt (deg C): 266.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.39E-018 (Modified Grain method)
VP (Pa, 25 deg C) : 7.19E-016 (Modified Grain method)
Subcooled liquid VP: 2.44E-015 mm Hg (25 deg C, Mod-Grain method)
: 3.25E-013 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.005839
log Kow used: 6.98 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.002577 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Vinyl/Allyl Alcohols
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.47E-007 atm-m3/mole (2.50E-002 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: 5.376E-016 atm-m3/mole (5.447E-011 Pa-m3/mole)
VP: 5.39E-018 mm Hg (source: MPBPVP)
WS: 0.00584 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.98 (KowWin est)
Log Kaw used: -4.996 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.976
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.4698
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2798 (days-weeks )
Biowin4 (Primary Survey Model) : 4.3245 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.3686
Biowin6 (MITI Non-Linear Model): 0.9914
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.4962
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): 3.25E-013 Pa (2.44E-015 mm Hg)
Log Koa (Koawin est ): 11.976
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.22E+006
Octanol/air (Koa) model: 0.232
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.949
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 74.9291 E-12 cm3/molecule-sec
Half-Life = 0.143 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.713 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)
0.949 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1490 L/kg (MCI method)
Log Koc: 3.173 (MCI method)
Koc : 6790 L/kg (Kow method)
Log Koc: 3.832 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.848E-002 L/mol-sec
Kb Half-Life at pH 8: 281.632 days
Kb Half-Life at pH 7: 7.711 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.900 (BCF = 794.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7198 days (HL = 0.01906 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.678 (BCF = 4.76)
Log BAF Arnot-Gobas method (upper trophic) = 0.678 (BAF = 4.761)
log Kow used: 6.98 (estimated)
Volatilization from Water:
Henry LC: 2.47E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4989 hours (207.9 days)
Half-Life from Model Lake : 5.46E+004 hours (2275 days)
Removal In Wastewater Treatment:
Total removal: 93.84 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.06 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 0.41 3 1000
Water 26 208 1000
Soil 73 416 1000
Sediment 0.595 1.87e+003 0
Persistence Time: 300 hr