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CAS Number: 128530-02-9
SMILES : CC(=CCCC(=CCOC(=O)C(=CC(=O)O)C)C)CCC=C(C)CCC=C(C)COC(=O)C(=CC(=O)O)C
CHEM :
MOL FOR: C30 H42 O8
MOL WT : 530.66
------------------------------ 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) = 10.23
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 630.15 (Adapted Stein & Brown method)
Melting Pt (deg C): 266.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.66E-014 (Modified Grain method)
VP (Pa, 25 deg C) : 3.55E-012 (Modified Grain method)
Subcooled liquid VP: 1.2E-011 mm Hg (25 deg C, Mod-Grain method)
: 1.59E-009 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.09e-006
log Kow used: 10.23 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0028563 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates-acid
Vinyl/Allyl Esters-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.58E-015 atm-m3/mole (1.60E-010 Pa-m3/mole)
Group Method: 2.94E-018 atm-m3/mole (2.98E-013 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: 8.887E-009 atm-m3/mole (9.004E-004 Pa-m3/mole)
VP: 2.66E-014 mm Hg (source: MPBPVP)
WS: 2.09E-006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.23 (KowWin est)
Log Kaw used: -13.190 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 23.420
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9887
Biowin2 (Non-Linear Model) : 0.9927
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0361 (weeks )
Biowin4 (Primary Survey Model) : 4.3112 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6181
Biowin6 (MITI Non-Linear Model): 0.1291
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8427
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): 1.6E-009 Pa (1.2E-011 mm Hg)
Log Koa (Koawin est ): 23.420
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.87E+003
Octanol/air (Koa) model: 6.46E+010
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 = 380.6282 E-12 cm3/molecule-sec
Half-Life = 0.028 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 20.233 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 174.274994 E-17 cm3/molecule-sec
Half-Life = 0.007 Days (at 7E11 mol/cm3)
Half-Life = 9.469 Min
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 : 4.63E+005 L/kg (MCI method)
Log Koc: 5.666 (MCI method)
Koc : 4.82E+005 L/kg (Kow method)
Log Koc: 5.683 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.121E-002 L/mol-sec
Kb Half-Life at pH 8: 1.959 years
Kb Half-Life at pH 7: 19.587 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) = 1.7416 days (HL = 55.15 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.824 (BCF = 6.673)
Log BAF Arnot-Gobas method (upper trophic) = 3.926 (BAF = 8435)
log Kow used: 10.23 (estimated)
Volatilization from Water:
Henry LC: 2.94E-018 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 4.587E+014 hours (1.911E+013 days)
Half-Life from Model Lake : 5.005E+015 hours (2.085E+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 7.03e-006 0.128 1000
Water 16 360 1000
Soil 83.8 720 1000
Sediment 0.257 3.24e+003 0
Persistence Time: 785 hr