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CAS Number: 4948-28-1


CHEM : Bicyclo 3.1.1 heptan-2-ol, 2,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alp


MOL FOR: C10 H18 O1

MOL WT : 154.25

------------------------------ 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) = 2.85

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

Boiling Pt (deg C): 200.80 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.99 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0703 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 9.37 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 863.1

log Kow used: 2.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 742.39 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 6.70E-006 atm-m3/mole (6.79E-001 Pa-m3/mole)

Group Method: 1.90E-006 atm-m3/mole (1.92E-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: 1.653E-005 atm-m3/mole (1.675E+000 Pa-m3/mole)

VP: 0.0703 mm Hg (source: MPBPVP)

WS: 863 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.85 (KowWin est)

Log Kaw used: -3.562 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.412

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3062

Biowin2 (Non-Linear Model) : 0.0674

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4340 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3183 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4738

Biowin6 (MITI Non-Linear Model): 0.3497

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3522

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): 8.41 Pa (0.0631 mm Hg)

Log Koa (Koawin est ): 6.412

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

Mackay model : 3.57E-007

Octanol/air (Koa) model: 6.34E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.29E-005

Mackay model : 2.85E-005

Octanol/air (Koa) model: 5.07E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.2993 E-12 cm3/molecule-sec

Half-Life = 0.947 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.359 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.07E-005 (Junge-Pankow, Mackay avg)

5.07E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 72.34 L/kg (MCI method)

Log Koc: 1.859 (MCI method)

Koc : 123 L/kg (Kow method)

Log Koc: 2.090 (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 = 1.548 (BCF = 35.35 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0438 days (HL = 1.106 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.813 (BCF = 64.99)

Log BAF Arnot-Gobas method (upper trophic) = 1.813 (BAF = 64.99)

log Kow used: 2.85 (estimated)

Volatilization from Water:

Henry LC: 1.9E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 384 hours (16 days)

Half-Life from Model Lake : 4293 hours (178.9 days)

Removal In Wastewater Treatment:

Total removal: 4.70 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.48 percent

Total to Air: 0.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.946 22.7 1000

Water 26.3 900 1000

Soil 72.6 1.8e+003 1000

Sediment 0.141 8.1e+003 0

Persistence Time: 886 hr

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