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CAS Num: 013851-11-1


CHEM : Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate

MOL FOR: C12 H20 O2

MOL WT : 196.29

------------------------------ 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) = 3.86

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

Boiling Pt (deg C): 225.89 (Adapted Stein & Brown method)

Melting Pt (deg C): 34.11 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0752 (Modified Grain method)

VP (Pa, 25 deg C) : 10 (Modified Grain method)

Subcooled liquid VP: 0.0907 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 23.23

log Kow used: 3.86 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 42.514 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.37E-004 atm-m3/mole (4.42E+001 Pa-m3/mole)

Group Method: 9.52E-005 atm-m3/mole (9.64E+000 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: 8.361E-004 atm-m3/mole (8.472E+001 Pa-m3/mole)

VP: 0.0752 mm Hg (source: MPBPVP)

WS: 23.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.86 (KowWin est)

Log Kaw used: -1.748 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.608

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4604

Biowin2 (Non-Linear Model) : 0.7015

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4814 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4866 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6929

Biowin6 (MITI Non-Linear Model): 0.6528

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2600

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): 12.1 Pa (0.0907 mm Hg)

Log Koa (Koawin est ): 5.608

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

Mackay model : 2.48E-007

Octanol/air (Koa) model: 9.95E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.96E-006

Mackay model : 1.98E-005

Octanol/air (Koa) model: 7.96E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.4156 E-12 cm3/molecule-sec

Half-Life = 1.442 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 17.308 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.44E-005 (Junge-Pankow, Mackay avg)

7.96E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 415.7 L/kg (MCI method)

Log Koc: 2.619 (MCI method)

Koc : 987.6 L/kg (Kow method)

Log Koc: 2.995 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.548E-002 L/mol-sec

Kb Half-Life at pH 8: 84.020 days

Kb Half-Life at pH 7: 2.300 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.212 (BCF = 162.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2704 days (HL = 0.5366 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.242 (BCF = 174.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.242 (BAF = 174.7)

log Kow used: 3.86 (estimated)

Volatilization from Water:

Henry LC: 9.52E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 10.05 hours

Half-Life from Model Lake : 227.1 hours (9.461 days)

Removal In Wastewater Treatment:

Total removal: 27.20 percent

Total biodegradation: 0.26 percent

Total sludge adsorption: 23.38 percent

Total to Air: 3.56 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.7 34.6 1000

Water 16 900 1000

Soil 81.9 1.8e+003 1000

Sediment 0.369 8.1e+003 0

Persistence Time: 902 hr

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