This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 8013-07-8
SMILES : CCCCCC2C(O2)CC1C(O1)CCCCCCCC(=O)(OCC(OC(=O)(CCCCCCCC(O3)C3CC(O4)C4CCC
CC))COC(=O)(CCCCCCCC(O5)C5CC(O6)C6CCCCC))
CHEM : Soybean oil, epoxidized
MOL FOR: C57 H98 O12
MOL WT : 975.41
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 14.84
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 898.60 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.2E-022 (Modified Grain method)
VP (Pa, 25 deg C) : 1.6E-020 (Modified Grain method)
Subcooled liquid VP: 6.17E-019 mm Hg (25 deg C, Mod-Grain method)
: 8.22E-017 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.026e-013
log Kow used: 14.84 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 9.7541e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Epoxides, Poly
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.54E-018 atm-m3/mole (1.56E-013 Pa-m3/mole)
Group Method: 1.23E-024 atm-m3/mole (1.24E-019 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: 1.501E-009 atm-m3/mole (1.521E-004 Pa-m3/mole)
VP: 1.2E-022 mm Hg (source: MPBPVP)
WS: 1.03E-013 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 14.84 (KowWin est)
Log Kaw used: -16.201 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 31.041
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.9532
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3073 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8761 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8280
Biowin6 (MITI Non-Linear Model): 0.0146
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0886
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): 8.23E-017 Pa (6.17E-019 mm Hg)
Log Koa (Koawin est ): 31.041
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.65E+010
Octanol/air (Koa) model: 2.7E+018
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 = 60.0773 E-12 cm3/molecule-sec
Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.136 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 : 1E+010 L/kg (MCI method)
Log Koc: 10.410 (MCI method)
Koc : 2.876E+008 L/kg (Kow method)
Log Koc: 8.459 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.201E-001 L/mol-sec
Kb Half-Life at pH 8: 25.063 days
Kb Half-Life at pH 7: 250.627 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Total Ka (acid-catalyzed) at 25 deg C : 2.584E-001 L/mol-sec
Ka Half-Life at pH 7: 310.464 days
(Total Ka applies to epoxide(s) only)
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) = -0.0887 days (HL = 0.8153 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: 14.84 (estimated)
Volatilization from Water:
Henry LC: 1.54E-018 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.187E+015 hours (4.947E+013 days)
Half-Life from Model Lake : 1.295E+016 hours (5.397E+014 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 0.14 4.27 1000
Water 16.2 900 1000
Soil 83.4 1.8e+003 1000
Sediment 0.28 8.1e+003 0
Persistence Time: 1.18e+003 hr