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CAS Number: 30982-36-6
SMILES : O=C(OCCC(C(C(C1C2)(C)C)C1)=C2)C=Cc(cccc3)c3
CHEM :
MOL FOR: C20 H24 O2
MOL WT : 296.41
------------------------------ 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) = 6.28
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 374.75 (Adapted Stein & Brown method)
Melting Pt (deg C): 127.09 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.24E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000432 (Modified Grain method)
Subcooled liquid VP: 3.39E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00452 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.05537
log Kow used: 6.28 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.040414 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.42E-005 atm-m3/mole (1.44E+000 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: 2.282E-005 atm-m3/mole (2.312E+000 Pa-m3/mole)
VP: 3.24E-006 mm Hg (source: MPBPVP)
WS: 0.0554 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.28 (KowWin est)
Log Kaw used: -3.236 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.516
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7248
Biowin2 (Non-Linear Model) : 0.9505
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4942 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5005 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4653
Biowin6 (MITI Non-Linear Model): 0.1997
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0741
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): 0.00452 Pa (3.39E-005 mm Hg)
Log Koa (Koawin est ): 9.516
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000664
Octanol/air (Koa) model: 0.000805
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0234
Mackay model : 0.0504
Octanol/air (Koa) model: 0.0605
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 115.1718 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 117.8318 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.114 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.089 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 44.049999 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 45.099998 E-17 cm3/molecule-sec [Trans-]
Half-Life = 0.624 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 0.610 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.0369 (Junge-Pankow, Mackay avg)
0.0605 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.505E+004 L/kg (MCI method)
Log Koc: 4.813 (MCI method)
Koc : 2.154E+004 L/kg (Kow method)
Log Koc: 4.333 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.133E-002 L/mol-sec
Kb Half-Life at pH 8: 1.939 years
Kb Half-Life at pH 7: 19.386 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.813 (BCF = 6506 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5767 days (HL = 3.773 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.035 (BCF = 1083)
Log BAF Arnot-Gobas method (upper trophic) = 3.387 (BAF = 2440)
log Kow used: 6.28 (estimated)
Volatilization from Water:
Henry LC: 1.42E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 72.74 hours (3.031 days)
Half-Life from Model Lake : 937.9 hours (39.08 days)
Removal In Wastewater Treatment:
Total removal: 93.04 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.26 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0163 0.488 1000
Water 9.97 900 1000
Soil 57.6 1.8e+003 1000
Sediment 32.4 8.1e+003 0
Persistence Time: 1.5e+003 hr