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CAS Num: 039900-38-4


CHEM : 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-,formate, [

3R-(3a,3a ,6a,7 ,8aa)]-

MOL FOR: C16 H26 O2

MOL WT : 250.38

------------------------------ 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) = 4.78

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

Boiling Pt (deg C): 286.37 (Adapted Stein & Brown method)

Melting Pt (deg C): 80.51 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00119 (Modified Grain method)

VP (Pa, 25 deg C) : 0.158 (Modified Grain method)

Subcooled liquid VP: 0.00401 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.934

log Kow used: 4.78 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.92618 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.09E-003 atm-m3/mole (1.10E+002 Pa-m3/mole)

Group Method: 9.96E-005 atm-m3/mole (1.01E+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: 2.027E-004 atm-m3/mole (2.054E+001 Pa-m3/mole)

VP: 0.00119 mm Hg (source: MPBPVP)

WS: 1.93 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.78 (KowWin est)

Log Kaw used: -1.351 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.131

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2507

Biowin2 (Non-Linear Model) : 0.1629

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1497 (months )

Biowin4 (Primary Survey Model) : 3.2551 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6514

Biowin6 (MITI Non-Linear Model): 0.4533

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7948

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): 0.535 Pa (0.00401 mm Hg)

Log Koa (Koawin est ): 6.131

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

Mackay model : 5.61E-006

Octanol/air (Koa) model: 3.32E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000203

Mackay model : 0.000449

Octanol/air (Koa) model: 2.66E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.8758 E-12 cm3/molecule-sec

Half-Life = 0.901 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.808 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000326 (Junge-Pankow, Mackay avg)

2.66E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4618 L/kg (MCI method)

Log Koc: 3.664 (MCI method)

Koc : 3188 L/kg (Kow method)

Log Koc: 3.503 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.697E+000 L/mol-sec

Kb Half-Life at pH 8: 2.170 days

Kb Half-Life at pH 7: 21.696 days

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.823 (BCF = 665.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2175 days (HL = 0.606 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.389 (BCF = 244.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.389 (BAF = 245.2)

log Kow used: 4.78 (estimated)

Volatilization from Water:

Henry LC: 9.96E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 10.92 hours

Half-Life from Model Lake : 251.8 hours (10.49 days)

Removal In Wastewater Treatment:

Total removal: 70.21 percent

Total biodegradation: 0.61 percent

Total sludge adsorption: 68.27 percent

Total to Air: 1.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.674 21.6 1000

Water 9.77 1.44e+003 1000

Soil 86.2 2.88e+003 1000

Sediment 3.32 1.3e+004 0

Persistence Time: 1.57e+003 hr

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