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CAS Num: 000077-70-3
SMILES : OC(CC)(C)C(=O)OCC
CHEM :
MOL FOR: C7 H14 O3
MOL WT : 146.19
------------------------------ 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) = 0.76
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 189.92 (Adapted Stein & Brown method)
Melting Pt (deg C): -0.85 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.135 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 18 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5.705e+004
log Kow used: 0.76 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 94605 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.49E-005 atm-m3/mole (8.61E+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: 4.552E-007 atm-m3/mole (4.612E-002 Pa-m3/mole)
VP: 0.135 mm Hg (source: MPBPVP)
WS: 5.71E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.76 (KowWin est)
Log Kaw used: -2.460 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.220
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6682
Biowin2 (Non-Linear Model) : 0.9641
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8042 (weeks )
Biowin4 (Primary Survey Model) : 3.7123 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7886
Biowin6 (MITI Non-Linear Model): 0.8877
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4870
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): 16 Pa (0.12 mm Hg)
Log Koa (Koawin est ): 3.220
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.88E-007
Octanol/air (Koa) model: 4.07E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.77E-006
Mackay model : 1.5E-005
Octanol/air (Koa) model: 3.26E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 6.0350 E-12 cm3/molecule-sec
Half-Life = 1.772 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 21.268 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.09E-005 (Junge-Pankow, Mackay avg)
3.26E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 7.387 L/kg (Kow method)
Log Koc: 0.868 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.843E-003 L/mol-sec
Kb Half-Life at pH 8: 3.759 years
Kb Half-Life at pH 7: 37.592 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9531 days (HL = 0.01114 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.032 (BCF = 1.076)
Log BAF Arnot-Gobas method (upper trophic) = 0.032 (BAF = 1.076)
log Kow used: 0.76 (estimated)
Volatilization from Water:
Henry LC: 8.49E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.572 hours
Half-Life from Model Lake : 205.8 hours (8.575 days)
Removal In Wastewater Treatment:
Total removal: 6.03 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.71 percent
Total to Air: 4.23 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.72 42.5 1000
Water 39.8 360 1000
Soil 53.4 720 1000
Sediment 0.0896 3.24e+003 0
Persistence Time: 290 hr