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CAS Number: 41370-56-3

SMILES : C(CC(C1C(C2)C(O)(C)C)C3(C2)C)=C(C)C31

CHEM : Tricyclo[,7]dec-8-ene-5-methanol, .alpha.,.alpha.,2,8-tetrame

thyl-, stereoisomer (9CI)

MOL FOR: C15 H24 O1

MOL WT : 220.36

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 4.20

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

Boiling Pt (deg C): 284.91 (Adapted Stein & Brown method)

Melting Pt (deg C): 77.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000111 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0148 (Modified Grain method)

Subcooled liquid VP: 0.000353 mm Hg (25 deg C, Mod-Grain method)

: 0.0471 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 28.46

log Kow used: 4.20 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.2795 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.27E-005 atm-m3/mole (1.28E+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: 1.131E-006 atm-m3/mole (1.146E-001 Pa-m3/mole)

VP: 0.000111 mm Hg (source: MPBPVP)

WS: 28.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.20 (KowWin est)

Log Kaw used: -3.285 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.485

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2748

Biowin2 (Non-Linear Model) : 0.0275

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2880 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2229 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3086

Biowin6 (MITI Non-Linear Model): 0.0607

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4264

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): 0.0471 Pa (0.000353 mm Hg)

Log Koa (Koawin est ): 7.485

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

Mackay model : 6.37E-005

Octanol/air (Koa) model: 7.5E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0023

Mackay model : 0.00507

Octanol/air (Koa) model: 0.0006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 106.3484 E-12 cm3/molecule-sec

Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.207 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00369 (Junge-Pankow, Mackay avg)

0.0006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1306 L/kg (MCI method)

Log Koc: 3.116 (MCI method)

Koc : 686.8 L/kg (Kow method)

Log Koc: 2.837 (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 v3.01):

Log BCF from regression-based method = 2.441 (BCF = 276.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6594 days (HL = 4.564 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.946 (BCF = 883.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.953 (BAF = 897)

log Kow used: 4.20 (estimated)

Volatilization from Water:

Henry LC: 1.27E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 69.95 hours (2.915 days)

Half-Life from Model Lake : 887.6 hours (36.98 days)

Removal In Wastewater Treatment:

Total removal: 40.26 percent

Total biodegradation: 0.40 percent

Total sludge adsorption: 39.44 percent

Total to Air: 0.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0251 0.506 1000

Water 17.3 900 1000

Soil 81.4 1.8e+003 1000

Sediment 1.26 8.1e+003 0

Persistence Time: 1.03e+003 hr

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