This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
To Datasheet
CAS Number: 41610-76-8
SMILES : O=C(OC(C=C)(CCC(O1)C1(C)C)C)C
CHEM : Oxiranepropanol, a-ethenyl-a,3,3-trimethyl-, acetate
MOL FOR: C12 H20 O3
MOL WT : 212.29
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 2.99
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 239.69 (Adapted Stein & Brown method)
Melting Pt (deg C): 42.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0312 (Modified Grain method)
VP (Pa, 25 deg C) : 4.15 (Modified Grain method)
Subcooled liquid VP: 0.0451 mm Hg (25 deg C, Mod-Grain method)
: 6.01 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 105.3
log Kow used: 2.99 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 347.27 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Epoxides, mono
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.06E-006 atm-m3/mole (2.08E-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: 8.276E-005 atm-m3/mole (8.386E+000 Pa-m3/mole)
VP: 0.0312 mm Hg (source: MPBPVP)
WS: 105 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.99 (KowWin est)
Log Kaw used: -4.075 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.065
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1054
Biowin2 (Non-Linear Model) : 0.0572
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4373 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4538 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6925
Biowin6 (MITI Non-Linear Model): 0.6051
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3652
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): 6.01 Pa (0.0451 mm Hg)
Log Koa (Koawin est ): 7.065
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.99E-007
Octanol/air (Koa) model: 2.85E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.8E-005
Mackay model : 3.99E-005
Octanol/air (Koa) model: 0.000228
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 31.3064 E-12 cm3/molecule-sec
Half-Life = 0.342 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.100 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
2.9E-005 (Junge-Pankow, Mackay avg)
0.000228 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 93.45 L/kg (MCI method)
Log Koc: 1.971 (MCI method)
Koc : 264.7 L/kg (Kow method)
Log Koc: 2.423 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.610E-002 L/mol-sec
Kb Half-Life at pH 8: 174.013 days
Kb Half-Life at pH 7: 4.764 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Total Ka (acid-catalyzed) at 25 deg C : 1.197E+000 L/mol-sec
Ka Half-Life at pH 7: 67.037 days
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.641 (BCF = 43.76 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2046 days (HL = 0.06243 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.313 (BCF = 20.58)
Log BAF Arnot-Gobas method (upper trophic) = 1.313 (BAF = 20.58)
log Kow used: 2.99 (estimated)
Volatilization from Water:
Henry LC: 2.06E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 415.6 hours (17.32 days)
Half-Life from Model Lake : 4656 hours (194 days)
Removal In Wastewater Treatment:
Total removal: 5.71 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.48 percent
Total to Air: 0.11 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.391 7.79 1000
Water 25 900 1000
Soil 74.5 1.8e+003 1000
Sediment 0.16 8.1e+003 0
Persistence Time: 896 hr