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CAS Number: 80758-72-1
SMILES : CC(C)CCOC(=O)C(=C)C(C)O
CHEM :
MOL FOR: C10 H18 O3
MOL WT : 186.25
------------------------------ 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) = 2.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 245.40 (Adapted Stein & Brown method)
Melting Pt (deg C): 8.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00437 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 0.583 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2575
log Kow used: 2.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5727.1 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Acrylates
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.18E-008 atm-m3/mole (2.21E-003 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: 4.159E-007 atm-m3/mole (4.214E-002 Pa-m3/mole)
VP: 0.00437 mm Hg (source: MPBPVP)
WS: 2.58E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.12 (KowWin est)
Log Kaw used: -6.050 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.170
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9918
Biowin2 (Non-Linear Model) : 0.9962
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0878 (weeks )
Biowin4 (Primary Survey Model) : 3.9374 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6740
Biowin6 (MITI Non-Linear Model): 0.7980
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4752
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): 0.56 Pa (0.0042 mm Hg)
Log Koa (Koawin est ): 8.170
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.36E-006
Octanol/air (Koa) model: 3.63E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000193
Mackay model : 0.000428
Octanol/air (Koa) model: 0.0029
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 31.0592 E-12 cm3/molecule-sec
Half-Life = 0.344 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.132 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Hrs
Fraction sorbed to airborne particulates (phi):
0.000311 (Junge-Pankow, Mackay avg)
0.0029 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 12.17 L/kg (MCI method)
Log Koc: 1.085 (MCI method)
Koc : 41.75 L/kg (Kow method)
Log Koc: 1.621 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.727E-003 L/mol-sec
Kb Half-Life at pH 8: 8.054 years
Kb Half-Life at pH 7: 80.536 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.065 (BCF = 11.61 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5867 days (HL = 0.0259 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.719 (BCF = 5.242)
Log BAF Arnot-Gobas method (upper trophic) = 0.719 (BAF = 5.242)
log Kow used: 2.12 (estimated)
Volatilization from Water:
Henry LC: 2.18E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.665E+004 hours (1527 days)
Half-Life from Model Lake : 4E+005 hours (1.667E+004 days)
Removal In Wastewater Treatment:
Total removal: 2.37 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.27 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 0.28 6.16 1000
Water 33 360 1000
Soil 66.7 720 1000
Sediment 0.0772 3.24e+003 0
Persistence Time: 513 hr