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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

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