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CAS Number: 585-07-9
SMILES : CC(=C)C(=O)OC(C)(C)C
CHEM : t-Butyl methacrylate
MOL FOR: C8 H14 O2
MOL WT : 142.20
------------------------------ 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) = 2.64
Log Kow (Exper. database match) = 2.54
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 140.65 (Adapted Stein & Brown method)
Melting Pt (deg C): -47.87 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.17 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 823 (Mean VP of Antoine & Grain methods)
BP (exp database): 67 @ 70 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 555.3
log Kow used: 2.54 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1000 mg/L (25 deg C)
Exper. Ref: ULLMANN'S ENCYCL; A21:159
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1870.5 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.39E-004 atm-m3/mole (3.44E+001 Pa-m3/mole)
Group Method: 8.48E-004 atm-m3/mole (8.59E+001 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.079E-003 atm-m3/mole (2.106E+002 Pa-m3/mole)
VP: 6.17 mm Hg (source: MPBPVP)
WS: 555 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.54 (exp database)
Log Kaw used: -1.858 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.398
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6701
Biowin2 (Non-Linear Model) : 0.9660
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8130 (weeks )
Biowin4 (Primary Survey Model) : 3.7181 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7145
Biowin6 (MITI Non-Linear Model): 0.8023
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2084
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): 756 Pa (5.67 mm Hg)
Log Koa (Koawin est ): 4.398
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.97E-009
Octanol/air (Koa) model: 6.14E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.43E-007
Mackay model : 3.17E-007
Octanol/air (Koa) model: 4.91E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.6278 E-12 cm3/molecule-sec
Half-Life = 0.574 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.890 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):
2.3E-007 (Junge-Pankow, Mackay avg)
4.91E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 36.19 L/kg (MCI method)
Log Koc: 1.559 (MCI method)
Koc : 183.8 L/kg (Kow method)
Log Koc: 2.264 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.226E-003 L/mol-sec
Kb Half-Life at pH 8: 17.914 years
Kb Half-Life at pH 7: 179.140 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.343 (BCF = 22.02 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0019 days (HL = 0.09956 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.264 (BCF = 18.37)
Log BAF Arnot-Gobas method (upper trophic) = 1.264 (BAF = 18.37)
log Kow used: 2.54 (expkow database)
Volatilization from Water:
Henry LC: 0.000848 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.04 hours
Half-Life from Model Lake : 122.2 hours (5.094 days)
Removal In Wastewater Treatment:
Total removal: 28.57 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 2.56 percent
Total to Air: 25.93 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.98 8.78 1000
Water 44.9 360 1000
Soil 49.9 720 1000
Sediment 0.15 3.24e+003 0
Persistence Time: 161 hr