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CAS Number:
SMILES : CC(C)C2CCC1(C)C3CCC1(C)C(OC(=O)(C))C3C2
CHEM :
MOL FOR: C18 H30 O2
MOL WT : 278.44
------------------------------ 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) = 5.44
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 313.26 (Adapted Stein & Brown method)
Melting Pt (deg C): 89.05 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000233 (Modified Grain method)
VP (Pa, 25 deg C) : 0.031 (Modified Grain method)
Subcooled liquid VP: 0.000963 mm Hg (25 deg C, Mod-Grain method)
: 0.128 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.3667
log Kow used: 5.44 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.16287 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.05E-003 atm-m3/mole (1.07E+002 Pa-m3/mole)
Group Method: 1.51E-004 atm-m3/mole (1.53E+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: 2.328E-004 atm-m3/mole (2.359E+001 Pa-m3/mole)
VP: 0.000233 mm Hg (source: MPBPVP)
WS: 0.367 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.44 (KowWin est)
Log Kaw used: -1.367 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.807
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4213
Biowin2 (Non-Linear Model) : 0.4226
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2998 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3681 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4625
Biowin6 (MITI Non-Linear Model): 0.1671
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6665
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): 0.128 Pa (0.000963 mm Hg)
Log Koa (Koawin est ): 6.807
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.34E-005
Octanol/air (Koa) model: 1.57E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000843
Mackay model : 0.00187
Octanol/air (Koa) model: 0.000126
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 19.5500 E-12 cm3/molecule-sec
Half-Life = 0.547 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.565 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00135 (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 : 1.404E+004 L/kg (MCI method)
Log Koc: 4.147 (MCI method)
Koc : 7388 L/kg (Kow method)
Log Koc: 3.869 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.548E-002 L/mol-sec
Kb Half-Life at pH 8: 84.020 days
Kb Half-Life at pH 7: 2.300 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.259 (BCF = 1816 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2784 days (HL = 1.899 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.863 (BCF = 729.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.885 (BAF = 766.9)
log Kow used: 5.44 (estimated)
Volatilization from Water:
Henry LC: 0.000151 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 8.173 hours
Half-Life from Model Lake : 229.1 hours (9.545 days)
Removal In Wastewater Treatment:
Total removal: 87.61 percent
Total biodegradation: 0.73 percent
Total sludge adsorption: 86.36 percent
Total to Air: 0.52 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.652 13.1 1000
Water 11.2 900 1000
Soil 79.3 1.8e+003 1000
Sediment 8.94 8.1e+003 0
Persistence Time: 1.09e+003 hr