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CAS Num: 001922-67-4

SMILES : O(CC(c(c1cc(c2C(CC3)(C)C)C3(C)C)c2)C)C1

CHEM : 1H-Naphtho 2,3-c pyran, 3,4,6,7,8,9-hexahydro-4,6,6,9,9-pentamethyl-

MOL FOR: C18 H26 O1

MOL WT : 258.41

------------------------------ 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) = 6.33

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

Boiling Pt (deg C): 330.21 (Adapted Stein & Brown method)

Melting Pt (deg C): 104.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.39E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00852 (Modified Grain method)

Subcooled liquid VP: 0.000387 mm Hg (25 deg C, Mod-Grain method)

: 0.0516 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.08278

log Kow used: 6.33 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.31021 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.32E-004 atm-m3/mole (1.34E+001 Pa-m3/mole)

Group Method: 6.29E-007 atm-m3/mole (6.37E-002 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: 2.625E-004 atm-m3/mole (2.659E+001 Pa-m3/mole)

VP: 6.39E-005 mm Hg (source: MPBPVP)

WS: 0.0828 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.33 (KowWin est)

Log Kaw used: -2.268 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.598

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0360

Biowin2 (Non-Linear Model) : 0.0009

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1204 (months )

Biowin4 (Primary Survey Model) : 3.0898 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0923

Biowin6 (MITI Non-Linear Model): 0.0448

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1271

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): 0.0516 Pa (0.000387 mm Hg)

Log Koa (Koawin est ): 8.598

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

Mackay model : 5.81E-005

Octanol/air (Koa) model: 9.73E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0021

Mackay model : 0.00463

Octanol/air (Koa) model: 0.00772

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 38.5676 E-12 cm3/molecule-sec

Half-Life = 0.277 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.328 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00336 (Junge-Pankow, Mackay avg)

0.00772 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.097E+004 L/kg (MCI method)

Log Koc: 4.322 (MCI method)

Koc : 2.167E+004 L/kg (Kow method)

Log Koc: 4.336 (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 = 3.846 (BCF = 7016 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6223 days (HL = 4.191 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.063 (BCF = 1156)

Log BAF Arnot-Gobas method (upper trophic) = 3.494 (BAF = 3117)

log Kow used: 6.33 (estimated)

Volatilization from Water:

Henry LC: 6.29E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1498 hours (62.41 days)

Half-Life from Model Lake : 1.648E+004 hours (686.5 days)

Removal In Wastewater Treatment:

Total removal: 93.15 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.37 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.145 6.66 1000

Water 10.9 1.44e+003 1000

Soil 73.3 2.88e+003 1000

Sediment 15.7 1.3e+004 0

Persistence Time: 1.95e+003 hr

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