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CAS Number: 211299-54-6


CHEM : (4aR,5R,7aS,9R)-octahydro-2,2,5,8,8,9a-hexamethyl-4h-4a,9-methanoazul


MOL FOR: C18 H30 O2

MOL WT : 278.44

------------------------------ 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) = 5.32

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

Boiling Pt (deg C): 309.24 (Adapted Stein & Brown method)

Melting Pt (deg C): 104.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000377 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0503 (Modified Grain method)

Subcooled liquid VP: 0.00224 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.4683

log Kow used: 5.32 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.22326 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.34E-004 atm-m3/mole (1.36E+001 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: 2.949E-004 atm-m3/mole (2.988E+001 Pa-m3/mole)

VP: 0.000377 mm Hg (source: MPBPVP)

WS: 0.468 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.32 (KowWin est)

Log Kaw used: -2.261 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.581

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.8155

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.7180 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.8128 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2883

Biowin6 (MITI Non-Linear Model): 0.0270

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.8150

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): 0.299 Pa (0.00224 mm Hg)

Log Koa (Koawin est ): 7.581

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

Mackay model : 1E-005

Octanol/air (Koa) model: 9.35E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000363

Mackay model : 0.000803

Octanol/air (Koa) model: 0.000748

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 48.5925 E-12 cm3/molecule-sec

Half-Life = 0.220 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.641 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000583 (Junge-Pankow, Mackay avg)

0.000748 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4074 L/kg (MCI method)

Log Koc: 3.610 (MCI method)

Koc : 4859 L/kg (Kow method)

Log Koc: 3.687 (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 = 3.177 (BCF = 1503 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.9126 days (HL = 8.177 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.423 (BCF = 2650)

Log BAF Arnot-Gobas method (upper trophic) = 3.618 (BAF = 4149)

log Kow used: 5.32 (estimated)

Volatilization from Water:

Henry LC: 0.000134 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.994 hours

Half-Life from Model Lake : 238 hours (9.918 days)

Removal In Wastewater Treatment:

Total removal: 85.73 percent

Total biodegradation: 0.72 percent

Total sludge adsorption: 84.40 percent

Total to Air: 0.60 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0889 5.28 1000

Water 4.21 4.32e+003 1000

Soil 93.9 8.64e+003 1000

Sediment 1.78 3.89e+004 0

Persistence Time: 3.99e+003 hr

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