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CAS Num: 008022-15-9


CHEM : Oils, lavandin

MOL FOR: C10 H18 O1

MOL WT : 154.25

------------------------------ 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) = 3.38

Log Kow (Exper. database match) = 2.97

Exper. Ref: LI,J & PERDUE,EM (1995)

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

Boiling Pt (deg C): 204.05 (Adapted Stein & Brown method)

Melting Pt (deg C): -11.39 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0832 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 11.1 (Mean VP of Antoine & Grain methods)

MP (exp database): < 25 deg C

BP (exp database): 198 deg C

VP (exp database): 1.60E-01 mm Hg (2.13E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 683.7

log Kow used: 2.97 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1590 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 709.26 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 4.23E-005 atm-m3/mole (4.28E+000 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 2.15E-05 atm-m3/mole (2.18E+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: 2.470E-005 atm-m3/mole (2.503E+000 Pa-m3/mole)

VP: 0.0832 mm Hg (source: MPBPVP)

WS: 684 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.97 (exp database)

Log Kaw used: -3.056 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.026

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4902

Biowin2 (Non-Linear Model) : 0.2880

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4717 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4457

Biowin6 (MITI Non-Linear Model): 0.3782

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0210

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): 21.3 Pa (0.16 mm Hg)

Log Koa (Koawin est ): 6.026

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

Mackay model : 1.41E-007

Octanol/air (Koa) model: 2.61E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.08E-006

Mackay model : 1.12E-005

Octanol/air (Koa) model: 2.08E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 119.6431 E-12 cm3/molecule-sec

Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.073 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.174999 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.222 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

8.16E-006 (Junge-Pankow, Mackay avg)

2.08E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 75.25 L/kg (MCI method)

Log Koc: 1.876 (MCI method)

Koc : 143.4 L/kg (Kow method)

Log Koc: 2.156 (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 = 1.627 (BCF = 42.33 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1392 days (HL = 0.7258 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.871 (BCF = 74.34)

Log BAF Arnot-Gobas method (upper trophic) = 1.871 (BAF = 74.34)

log Kow used: 2.97 (expkow database)

Volatilization from Water:

Henry LC: 2.15E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 35.09 hours (1.462 days)

Half-Life from Model Lake : 486.9 hours (20.29 days)

Removal In Wastewater Treatment:

Total removal: 6.54 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 5.28 percent

Total to Air: 1.13 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0342 0.457 1000

Water 25.8 900 1000

Soil 74 1.8e+003 1000

Sediment 0.142 8.1e+003 0

Persistence Time: 792 hr

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