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CAS Number: 53823-06-6

SMILES : CC1CCCC2(C13CC3(CC2)C(C)(C)O)C

CHEM : 2-[(1aR,3aR,7S,7aR)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa

[i]inden-1a-yl]propan-2-ol

MOL FOR: C15 H26 O1

MOL WT : 222.37

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

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

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

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

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

Physical Property Inputs:

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.70

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

Boiling Pt (deg C): 271.98 (Adapted Stein & Brown method)

Melting Pt (deg C): 75.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000266 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0354 (Modified Grain method)

Subcooled liquid VP: 0.000801 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 10.4

log Kow used: 4.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 12.289 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.22E-005 atm-m3/mole (1.24E+000 Pa-m3/mole)

Group Method: 1.47E-006 atm-m3/mole (1.49E-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: 7.484E-006 atm-m3/mole (7.583E-001 Pa-m3/mole)

VP: 0.000266 mm Hg (source: MPBPVP)

WS: 10.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.70 (KowWin est)

Log Kaw used: -3.302 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.002

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0940

Biowin2 (Non-Linear Model) : 0.0009

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.8593 (months )

Biowin4 (Primary Survey Model) : 2.9131 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4535

Biowin6 (MITI Non-Linear Model): 0.2828

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.4998

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): 0.107 Pa (0.000801 mm Hg)

Log Koa (Koawin est ): 8.002

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

Mackay model : 2.81E-005

Octanol/air (Koa) model: 2.47E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00101

Mackay model : 0.00224

Octanol/air (Koa) model: 0.00197

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.5193 E-12 cm3/molecule-sec

Half-Life = 1.017 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.202 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00163 (Junge-Pankow, Mackay avg)

0.00197 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1211 L/kg (MCI method)

Log Koc: 3.083 (MCI method)

Koc : 1298 L/kg (Kow method)

Log Koc: 3.113 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.771 (BCF = 589.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3628 days (HL = 2.306 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.906 (BCF = 804.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.911 (BAF = 815.6)

log Kow used: 4.70 (estimated)

Volatilization from Water:

Henry LC: 1.47E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 595.5 hours (24.81 days)

Half-Life from Model Lake : 6621 hours (275.9 days)

Removal In Wastewater Treatment:

Total removal: 66.00 percent

Total biodegradation: 0.59 percent

Total sludge adsorption: 65.38 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.507 24.4 1000

Water 14.2 1.44e+003 1000

Soil 84.2 2.88e+003 1000

Sediment 1.13 1.3e+004 0

Persistence Time: 1.64e+003 hr

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