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CAS Number:
SMILES : CC=C(C)C(=O)OC1CC2CCC1(C2(C)C)C
CHEM :
MOL FOR: C15 H24 O2
MOL WT : 236.36
------------------------------ 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) = 5.17
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 278.48 (Adapted Stein & Brown method)
Melting Pt (deg C): 64.78 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00258 (Modified Grain method)
VP (Pa, 25 deg C) : 0.343 (Modified Grain method)
Subcooled liquid VP: 0.00607 mm Hg (25 deg C, Mod-Grain method)
: 0.809 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.078
log Kow used: 5.17 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.5575 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.65E-004 atm-m3/mole (5.73E+001 Pa-m3/mole)
Group Method: 2.34E-004 atm-m3/mole (2.37E+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: 7.443E-004 atm-m3/mole (7.542E+001 Pa-m3/mole)
VP: 0.00258 mm Hg (source: MPBPVP)
WS: 1.08 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.17 (KowWin est)
Log Kaw used: -1.636 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.806
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4413
Biowin2 (Non-Linear Model) : 0.5709
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3928 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4288 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5803
Biowin6 (MITI Non-Linear Model): 0.3829
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4130
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): 0.809 Pa (0.00607 mm Hg)
Log Koa (Koawin est ): 6.806
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.71E-006
Octanol/air (Koa) model: 1.57E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000134
Mackay model : 0.000296
Octanol/air (Koa) model: 0.000126
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 38.3861 E-12 cm3/molecule-sec
Half-Life = 0.279 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.344 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
0.000215 (Junge-Pankow, Mackay avg)
0.000126 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2412 L/kg (MCI method)
Log Koc: 3.382 (MCI method)
Koc : 5238 L/kg (Kow method)
Log Koc: 3.719 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.544E-003 L/mol-sec
Kb Half-Life at pH 8: 14.223 years
Kb Half-Life at pH 7: 142.230 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.079 (BCF = 1200 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3748 days (HL = 2.37 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.953 (BCF = 898.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.971 (BAF = 936.1)
log Kow used: 5.17 (estimated)
Volatilization from Water:
Henry LC: 0.000234 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.415 hours
Half-Life from Model Lake : 188 hours (7.833 days)
Removal In Wastewater Treatment:
Total removal: 82.88 percent
Total biodegradation: 0.69 percent
Total sludge adsorption: 80.84 percent
Total to Air: 1.34 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.17 2.39 1000
Water 11.9 900 1000
Soil 86.3 1.8e+003 1000
Sediment 1.62 8.1e+003 0
Persistence Time: 949 hr