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CAS Number: 23960-07-8
SMILES : CC(=CCC(COC(=O)C=C(C)C)C(=C)C)C
CHEM : [(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl] 3-methylbut-2-enoate
MOL FOR: C15 H24 O2
MOL WT : 236.36
------------------------------ 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) = 5.80
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 283.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 5.39 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00478 (Modified Grain method)
VP (Pa, 25 deg C) : 0.637 (Modified Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.3162
log Kow used: 5.80 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.8723 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.66E-003 atm-m3/mole (2.69E+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: 4.701E-003 atm-m3/mole (4.764E+002 Pa-m3/mole)
VP: 0.00478 mm Hg (source: MPBPVP)
WS: 0.316 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.80 (KowWin est)
Log Kaw used: -0.964 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.764
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8092
Biowin2 (Non-Linear Model) : 0.9766
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8171 (weeks )
Biowin4 (Primary Survey Model) : 3.7357 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4277
Biowin6 (MITI Non-Linear Model): 0.2929
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2021
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): 0.637 Pa (0.00478 mm Hg)
Log Koa (Koawin est ): 6.764
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.71E-006
Octanol/air (Koa) model: 1.43E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00017
Mackay model : 0.000376
Octanol/air (Koa) model: 0.000114
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 175.3170 E-12 cm3/molecule-sec
Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.732 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 51.593750 E-17 cm3/molecule-sec
Half-Life = 0.022 Days (at 7E11 mol/cm3)
Half-Life = 31.985 Min
Fraction sorbed to airborne particulates (phi):
0.000273 (Junge-Pankow, Mackay avg)
0.000114 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2408 L/kg (MCI method)
Log Koc: 3.382 (MCI method)
Koc : 1.169E+004 L/kg (Kow method)
Log Koc: 4.068 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.400E-003 L/mol-sec
Kb Half-Life at pH 8: 6.459 years
Kb Half-Life at pH 7: 64.594 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.491 (BCF = 3094 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3554 days (HL = 2.267 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.914 (BCF = 820.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.979 (BAF = 951.8)
log Kow used: 5.80 (estimated)
Volatilization from Water:
Henry LC: 0.00266 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.907 hours
Half-Life from Model Lake : 149.7 hours (6.238 days)
Removal In Wastewater Treatment:
Total removal: 91.71 percent
Total biodegradation: 0.72 percent
Total sludge adsorption: 88.00 percent
Total to Air: 2.99 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.083 0.391 1000
Water 18.1 360 1000
Soil 80.5 720 1000
Sediment 1.36 3.24e+003 0
Persistence Time: 359 hr