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CAS Num: 028231-03-0

SMILES : OC(C(C(CC1(C2CC3)C3C)C2(C)C)=C)C1

CHEM : 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-

MOL FOR: C15 H24 O1

MOL WT : 220.36

------------------------------ 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) = 4.28

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

Boiling Pt (deg C): 291.77 (Adapted Stein & Brown method)

Melting Pt (deg C): 78.03 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.15E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00954 (Modified Grain method)

Subcooled liquid VP: 0.000228 mm Hg (25 deg C, Mod-Grain method)

: 0.0304 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 24.38

log Kow used: 4.28 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.2253 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 1.07E-005 atm-m3/mole (1.09E+000 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: 8.503E-007 atm-m3/mole (8.616E-002 Pa-m3/mole)

VP: 7.15E-005 mm Hg (source: MPBPVP)

WS: 24.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.28 (KowWin est)

Log Kaw used: -3.359 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.639

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4335

Biowin2 (Non-Linear Model) : 0.0795

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4479 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3524 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4952

Biowin6 (MITI Non-Linear Model): 0.1839

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4076

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): 0.0304 Pa (0.000228 mm Hg)

Log Koa (Koawin est ): 7.639

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

Mackay model : 9.87E-005

Octanol/air (Koa) model: 1.07E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00355

Mackay model : 0.00783

Octanol/air (Koa) model: 0.000855

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 69.7552 E-12 cm3/molecule-sec

Half-Life = 0.153 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.840 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.00569 (Junge-Pankow, Mackay avg)

0.000855 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1368 L/kg (MCI method)

Log Koc: 3.136 (MCI method)

Koc : 760.4 L/kg (Kow method)

Log Koc: 2.881 (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 = 2.493 (BCF = 311.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5719 days (HL = 3.732 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.939 (BCF = 869.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.945 (BAF = 880.3)

log Kow used: 4.28 (estimated)

Volatilization from Water:

Henry LC: 1.07E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 82.74 hours (3.448 days)

Half-Life from Model Lake : 1027 hours (42.8 days)

Removal In Wastewater Treatment:

Total removal: 44.43 percent

Total biodegradation: 0.43 percent

Total sludge adsorption: 43.67 percent

Total to Air: 0.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.149 3.17 1000

Water 17.4 900 1000

Soil 81.1 1.8e+003 1000

Sediment 1.33 8.1e+003 0

Persistence Time: 1.04e+003 hr

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