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CAS Num: 006790-58-5

SMILES : O(C(C(C(C(C(CC1)(C)C)C2)(C1)C)C3)(C2)C)C3

CHEM : Naphtho 2,1-b furan, dodecahydro-3a,6,6,9a-tetramethyl-

MOL FOR: C16 H28 O1

MOL WT : 236.40

------------------------------ 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) = 4.76

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

Boiling Pt (deg C): 276.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 74.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00393 (Modified Grain method)

VP (Pa, 25 deg C) : 0.524 (Modified Grain method)

Subcooled liquid VP: 0.0115 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2.436

log Kow used: 4.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.2169 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.91E-004 atm-m3/mole (4.98E+001 Pa-m3/mole)

Group Method: 1.94E-004 atm-m3/mole (1.97E+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: 5.018E-004 atm-m3/mole (5.085E+001 Pa-m3/mole)

VP: 0.00393 mm Hg (source: MPBPVP)

WS: 2.44 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.76 (KowWin est)

Log Kaw used: -1.697 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.457

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.2641

Biowin2 (Non-Linear Model) : 0.0001

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0317 (months )

Biowin4 (Primary Survey Model) : 3.0366 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3778

Biowin6 (MITI Non-Linear Model): 0.1500

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.5033

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): 1.53 Pa (0.0115 mm Hg)

Log Koa (Koawin est ): 6.457

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

Mackay model : 1.96E-006

Octanol/air (Koa) model: 7.03E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.07E-005

Mackay model : 0.000156

Octanol/air (Koa) model: 5.62E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 27.8938 E-12 cm3/molecule-sec

Half-Life = 0.383 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.601 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000114 (Junge-Pankow, Mackay avg)

5.62E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6900 L/kg (MCI method)

Log Koc: 3.839 (MCI method)

Koc : 2934 L/kg (Kow method)

Log Koc: 3.467 (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 = 2.805 (BCF = 638.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7271 days (HL = 5.335 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.193 (BCF = 1561)

Log BAF Arnot-Gobas method (upper trophic) = 3.224 (BAF = 1675)

log Kow used: 4.76 (estimated)

Volatilization from Water:

Henry LC: 0.000491 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.402 hours

Half-Life from Model Lake : 166 hours (6.918 days)

Removal In Wastewater Treatment:

Total removal: 71.48 percent

Total biodegradation: 0.57 percent

Total sludge adsorption: 65.59 percent

Total to Air: 5.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.415 9.2 1000

Water 7.19 1.44e+003 1000

Soil 88.7 2.88e+003 1000

Sediment 3.72 1.3e+004 0

Persistence Time: 1.48e+003 hr

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