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CAS Num: 008016-26-0


CHEM : Oils, labdanum

MOL FOR: C9 H16 O1

MOL WT : 140.23

------------------------------ 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) = 2.41

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

Boiling Pt (deg C): 194.73 (Adapted Stein & Brown method)

Melting Pt (deg C): 6.67 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.42 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 189 (Mean VP of Antoine & Grain methods)

MP (exp database): -31.8 deg C

BP (exp database): 178.5 deg C

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

Water Solubility at 25 deg C (mg/L): 724.3

log Kow used: 2.41 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2457.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.20E-004 atm-m3/mole (1.21E+001 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: 3.617E-004 atm-m3/mole (3.665E+001 Pa-m3/mole)

VP: 1.42 mm Hg (source: MPBPVP)

WS: 724 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.41 (KowWin est)

Log Kaw used: -2.309 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.719

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5037

Biowin2 (Non-Linear Model) : 0.2389

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6547 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4698 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5532

Biowin6 (MITI Non-Linear Model): 0.5862

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4493

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): 172 Pa (1.29 mm Hg)

Log Koa (Koawin est ): 4.719

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

Mackay model : 1.74E-008

Octanol/air (Koa) model: 1.29E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.3E-007

Mackay model : 1.4E-006

Octanol/air (Koa) model: 1.03E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.7547 E-12 cm3/molecule-sec

Half-Life = 0.778 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.331 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.01E-006 (Junge-Pankow, Mackay avg)

1.03E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 68.66 L/kg (MCI method)

Log Koc: 1.837 (MCI method)

Koc : 284.3 L/kg (Kow method)

Log Koc: 2.454 (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 v3.00):

Log BCF from regression-based method = 1.260 (BCF = 18.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5964 days (HL = 0.2533 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.330 (BCF = 21.39)

Log BAF Arnot-Gobas method (upper trophic) = 1.330 (BAF = 21.39)

log Kow used: 2.41 (estimated)

Volatilization from Water:

Henry LC: 0.00012 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.986 hours

Half-Life from Model Lake : 175.5 hours (7.313 days)

Removal In Wastewater Treatment:

Total removal: 8.41 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.65 percent

Total to Air: 5.67 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.06 18.7 1000

Water 25.7 900 1000

Soil 72.1 1.8e+003 1000

Sediment 0.134 8.1e+003 0

Persistence Time: 586 hr

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