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CAS Number:
SMILES : CCCCCCCCCC(=O)OC(CCCCC)C=C
CHEM :
MOL FOR: C18 H34 O2
MOL WT : 282.47
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 7.53
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 328.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 53.33 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00023 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0307 (Modified Grain method)
Subcooled liquid VP: 0.00042 mm Hg (25 deg C, Mod-Grain method)
: 0.0561 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.005757
log Kow used: 7.53 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.006564 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.16E-003 atm-m3/mole (9.28E+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: 1.485E-002 atm-m3/mole (1.505E+003 Pa-m3/mole)
VP: 0.00023 mm Hg (source: MPBPVP)
WS: 0.00576 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.53 (KowWin est)
Log Kaw used: -0.427 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.957
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0041
Biowin2 (Non-Linear Model) : 0.9988
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3118 (days-weeks )
Biowin4 (Primary Survey Model) : 4.2073 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7772
Biowin6 (MITI Non-Linear Model): 0.8804
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1388
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): 0.056 Pa (0.00042 mm Hg)
Log Koa (Koawin est ): 7.957
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.36E-005
Octanol/air (Koa) model: 2.22E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00193
Mackay model : 0.00427
Octanol/air (Koa) model: 0.00178
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 45.8237 E-12 cm3/molecule-sec
Half-Life = 0.233 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.801 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
0.0031 (Junge-Pankow, Mackay avg)
0.00178 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.4E+004 L/kg (MCI method)
Log Koc: 4.380 (MCI method)
Koc : 1.058E+005 L/kg (Kow method)
Log Koc: 5.025 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.833E-003 L/mol-sec
Kb Half-Life at pH 8: 3.214 years
Kb Half-Life at pH 7: 32.143 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.268 (BCF = 1853 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2463 days (HL = 1.763 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.958 (BCF = 90.71)
Log BAF Arnot-Gobas method (upper trophic) = 2.552 (BAF = 356.7)
log Kow used: 7.53 (estimated)
Volatilization from Water:
Henry LC: 0.00916 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.822 hours
Half-Life from Model Lake : 160.8 hours (6.7 days)
Removal In Wastewater Treatment:
Total removal: 94.01 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.03 percent
Total to Air: 0.20 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.913 4.5 1000
Water 23.5 208 1000
Soil 71.8 416 1000
Sediment 3.84 1.87e+003 0
Persistence Time: 269 hr