This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 319002-92-1
SMILES : O=C(OCCC)C(OC(C)(C)CC)C
CHEM :
MOL FOR: C11 H22 O3
MOL WT : 202.30
------------------------------ 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) = 2.86
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 219.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 3.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.137 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 18.3 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 153.5
log Kow used: 2.86 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1208.5 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.06E-004 atm-m3/mole (1.07E+001 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: 2.376E-004 atm-m3/mole (2.407E+001 Pa-m3/mole)
VP: 0.137 mm Hg (source: MPBPVP)
WS: 154 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.86 (KowWin est)
Log Kaw used: -2.363 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.223
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2941
Biowin2 (Non-Linear Model) : 0.2815
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6715 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6217 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6228
Biowin6 (MITI Non-Linear Model): 0.6703
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0693
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): 17.1 Pa (0.128 mm Hg)
Log Koa (Koawin est ): 5.223
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.76E-007
Octanol/air (Koa) model: 4.1E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.35E-006
Mackay model : 1.41E-005
Octanol/air (Koa) model: 3.28E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.3783 E-12 cm3/molecule-sec
Half-Life = 0.940 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.280 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.02E-005 (Junge-Pankow, Mackay avg)
3.28E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 60.4 L/kg (MCI method)
Log Koc: 1.781 (MCI method)
Koc : 224.3 L/kg (Kow method)
Log Koc: 2.351 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.972E-001 L/mol-sec
Kb Half-Life at pH 8: 16.135 days
Kb Half-Life at pH 7: 161.355 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.554 (BCF = 35.85 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1520 days (HL = 0.07048 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.315 (BCF = 20.64)
Log BAF Arnot-Gobas method (upper trophic) = 1.315 (BAF = 20.64)
log Kow used: 2.86 (estimated)
Volatilization from Water:
Henry LC: 0.000106 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.307 hours
Half-Life from Model Lake : 220.8 hours (9.2 days)
Removal In Wastewater Treatment:
Total removal: 9.50 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 4.41 percent
Total to Air: 4.99 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.35 22.6 1000
Water 26.8 900 1000
Soil 70.8 1.8e+003 1000
Sediment 0.128 8.1e+003 0
Persistence Time: 588 hr