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CAS Num: 057082-24-3

SMILES : O=C(OC(C(C(C1(C)C)CCC2(CC3)C)C1)(C2)C3)C

CHEM : Tricyclo 6.3.1.02,5 dodecan-1-ol, 4,4,8-trimethyl-, acetate, 1R-(1.a

lpha.,2.alpha.,5.beta.,8.beta.) -

MOL FOR: C17 H28 O2

MOL WT : 264.41

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 5.40

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 305.60 (Adapted Stein & Brown method)

Melting Pt (deg C): 87.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000361 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0481 (Modified Grain method)

Subcooled liquid VP: 0.00145 mm Hg (25 deg C, Mod-Grain method)

: 0.193 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.4762

log Kow used: 5.40 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.71981 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 7.94E-004 atm-m3/mole (8.04E+001 Pa-m3/mole)

Group Method: 4.77E-005 atm-m3/mole (4.83E+000 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: 2.637E-004 atm-m3/mole (2.672E+001 Pa-m3/mole)

VP: 0.000361 mm Hg (source: MPBPVP)

WS: 0.476 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 5.40 (KowWin est)

Log Kaw used: -1.489 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.889

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2441

Biowin2 (Non-Linear Model) : 0.1375

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1187 (months )

Biowin4 (Primary Survey Model) : 3.2349 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6367

Biowin6 (MITI Non-Linear Model): 0.5025

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0742

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): 0.193 Pa (0.00145 mm Hg)

Log Koa (Koawin est ): 6.889

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.55E-005

Octanol/air (Koa) model: 1.9E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00056

Mackay model : 0.00124

Octanol/air (Koa) model: 0.000152

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.4396 E-12 cm3/molecule-sec

Half-Life = 0.935 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.220 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0009 (Junge-Pankow, Mackay avg)

0.000152 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7448 L/kg (MCI method)

Log Koc: 3.872 (MCI method)

Koc : 7021 L/kg (Kow method)

Log Koc: 3.846 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.381E-002 L/mol-sec

Kb Half-Life at pH 8: 237.292 days

Kb Half-Life at pH 7: 6.497 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.233 (BCF = 1710 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1172 days (HL = 1.31 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.710 (BCF = 513)

Log BAF Arnot-Gobas method (upper trophic) = 2.720 (BAF = 524.7)

log Kow used: 5.40 (estimated)

Volatilization from Water:

Henry LC: 4.77E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 21.62 hours

Half-Life from Model Lake : 372.2 hours (15.51 days)

Removal In Wastewater Treatment:

Total removal: 86.94 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 86.01 percent

Total to Air: 0.20 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.592 22.4 1000

Water 10.7 1.44e+003 1000

Soil 82.8 2.88e+003 1000

Sediment 5.91 1.3e+004 0

Persistence Time: 1.66e+003 hr

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