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CAS Number:
SMILES : O=C(OCCC1=CCC2CC1C2(C)C)CCCCCCC
CHEM :
MOL FOR: C19 H32 O2
MOL WT : 292.47
------------------------------ 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) = 7.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 345.04 (Adapted Stein & Brown method)
Melting Pt (deg C): 104.66 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.88E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00384 (Modified Grain method)
Subcooled liquid VP: 0.000173 mm Hg (25 deg C, Mod-Grain method)
: 0.0231 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.008792
log Kow used: 7.25 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.010135 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.29E-003 atm-m3/mole (3.34E+002 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: 1.261E-003 atm-m3/mole (1.277E+002 Pa-m3/mole)
VP: 2.88E-005 mm Hg (source: MPBPVP)
WS: 0.00879 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.25 (KowWin est)
Log Kaw used: -0.871 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.121
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7070
Biowin2 (Non-Linear Model) : 0.9550
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7793 (weeks )
Biowin4 (Primary Survey Model) : 3.7704 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7205
Biowin6 (MITI Non-Linear Model): 0.6603
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0905
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): 0.0231 Pa (0.000173 mm Hg)
Log Koa (Koawin est ): 8.121
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00013
Octanol/air (Koa) model: 3.24E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00468
Mackay model : 0.0103
Octanol/air (Koa) model: 0.00259
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 100.9230 E-12 cm3/molecule-sec
Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.272 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00749 (Junge-Pankow, Mackay avg)
0.00259 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.495E+004 L/kg (MCI method)
Log Koc: 4.543 (MCI method)
Koc : 7.408E+004 L/kg (Kow method)
Log Koc: 4.870 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.266E-002 L/mol-sec
Kb Half-Life at pH 8: 128.021 days
Kb Half-Life at pH 7: 3.505 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.407 (BCF = 2550 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8084 days (HL = 6.433 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.732 (BCF = 540)
Log BAF Arnot-Gobas method (upper trophic) = 4.093 (BAF = 1.24e+004)
log Kow used: 7.25 (estimated)
Volatilization from Water:
Henry LC: 0.00329 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.049 hours
Half-Life from Model Lake : 165.8 hours (6.907 days)
Removal In Wastewater Treatment:
Total removal: 93.95 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.03 percent
Total to Air: 0.14 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0687 0.511 1000
Water 17 360 1000
Soil 73.8 720 1000
Sediment 9.11 3.24e+003 0
Persistence Time: 461 hr