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CAS Number: 1686-14-2

SMILES : O(C1(C(CC2C3)C2(C)C)C)C13

CHEM : 3-Oxatricyclo 4.1.1.02,4 octane, 2,7,7-trimethyl-

MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.87

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

Boiling Pt (deg C): 165.75 (Adapted Stein & Brown method)

Melting Pt (deg C): 17.82 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.05 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 140 (Mean VP of Antoine & Grain methods)

BP (exp database): 185 deg C

VP (exp database): 8.18E-01 mm Hg (1.09E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 260.6

log Kow used: 2.87 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 388 mg/L (25 deg C)

Exper. Ref: FICHAN,I ET AL. (1999)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 219.07 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 2.25E-004 atm-m3/mole (2.28E+001 Pa-m3/mole)

Group Method: 3.38E-005 atm-m3/mole (3.42E+000 Pa-m3/mole)

Exper Database: 4.22E-04 atm-m3/mole (4.28E+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: 8.071E-004 atm-m3/mole (8.178E+001 Pa-m3/mole)

VP: 1.05 mm Hg (source: MPBPVP)

WS: 261 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.87 (KowWin est)

Log Kaw used: -1.763 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.633

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0402

Biowin2 (Non-Linear Model) : 0.0024

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4298 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3115 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4740

Biowin6 (MITI Non-Linear Model): 0.2620

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4500

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): 109 Pa (0.818 mm Hg)

Log Koa (Koawin est ): 4.633

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

Mackay model : 2.75E-008

Octanol/air (Koa) model: 1.05E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.94E-007

Mackay model : 2.2E-006

Octanol/air (Koa) model: 8.44E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.5253 E-12 cm3/molecule-sec

Half-Life = 1.421 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 17.056 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.6E-006 (Junge-Pankow, Mackay avg)

8.44E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 229.4 L/kg (MCI method)

Log Koc: 2.361 (MCI method)

Koc : 264.2 L/kg (Kow method)

Log Koc: 2.422 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 2.214E+000 L/mol-sec

Ka Half-Life at pH 7: 36.240 days

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.563 (BCF = 36.57 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0510 days (HL = 0.8892 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.815 (BCF = 65.35)

Log BAF Arnot-Gobas method (upper trophic) = 1.815 (BAF = 65.35)

log Kow used: 2.87 (estimated)

Volatilization from Water:

Henry LC: 0.000422 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.971 hours

Half-Life from Model Lake : 135.9 hours (5.661 days)

Removal In Wastewater Treatment:

Total removal: 19.70 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 4.18 percent

Total to Air: 15.42 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.59 34.1 1000

Water 18.2 900 1000

Soil 78 1.8e+003 1000

Sediment 0.241 8.1e+003 0

Persistence Time: 584 hr

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