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CAS Num: 010402-48-9
SMILES : CC(C)=C(C)C(=O)OCC=C(C)CCC=C(C)C
CHEM :
MOL FOR: C16 H26 O2
MOL WT : 250.38
------------------------------ 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) = 6.34
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 308.59 (Adapted Stein & Brown method)
Melting Pt (deg C): 17.35 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00124 (Modified Grain method)
VP (Pa, 25 deg C) : 0.165 (Modified Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.09117
log Kow used: 6.34 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.1425 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.91E-003 atm-m3/mole (4.98E+002 Pa-m3/mole)
Group Method: 1.31E-003 atm-m3/mole (1.33E+002 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: 4.481E-003 atm-m3/mole (4.540E+002 Pa-m3/mole)
VP: 0.00124 mm Hg (source: MPBPVP)
WS: 0.0912 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.34 (KowWin est)
Log Kaw used: -0.697 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.037
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8025
Biowin2 (Non-Linear Model) : 0.9716
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7861 (weeks )
Biowin4 (Primary Survey Model) : 3.7155 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4741
Biowin6 (MITI Non-Linear Model): 0.3112
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4614
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): 0.165 Pa (0.00124 mm Hg)
Log Koa (Koawin est ): 7.037
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.81E-005
Octanol/air (Koa) model: 2.67E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000655
Mackay model : 0.00145
Octanol/air (Koa) model: 0.000214
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 216.9081 E-12 cm3/molecule-sec
Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.592 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 134.059372 E-17 cm3/molecule-sec
Half-Life = 0.009 Days (at 7E11 mol/cm3)
Half-Life = 12.310 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00105 (Junge-Pankow, Mackay avg)
0.000214 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4478 L/kg (MCI method)
Log Koc: 3.651 (MCI method)
Koc : 2.325E+004 L/kg (Kow method)
Log Koc: 4.366 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.607E-003 L/mol-sec
Kb Half-Life at pH 8: 3.917 years
Kb Half-Life at pH 7: 39.173 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 3.848 (BCF = 7052 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7489 days (HL = 5.609 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.180 (BCF = 1514)
Log BAF Arnot-Gobas method (upper trophic) = 3.771 (BAF = 5905)
log Kow used: 6.34 (estimated)
Volatilization from Water:
Henry LC: 0.00131 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.322 hours
Half-Life from Model Lake : 158 hours (6.584 days)
Removal In Wastewater Treatment:
Total removal: 93.25 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.00 percent
Total to Air: 0.48 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0297 0.175 1000
Water 17 360 1000
Soil 80.9 720 1000
Sediment 2.12 3.24e+003 0
Persistence Time: 406 hr