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CAS Num: 056105-46-5

SMILES : OC(C=C)(CCC=C(CC(C)C)C)C

CHEM : 1,6-Decadien-3-ol, 3,7,9-trimethyl-

MOL FOR: C13 H24 O1

MOL WT : 196.34

------------------------------ 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) = 4.78

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

Boiling Pt (deg C): 248.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 11.06 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00353 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.47 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 12.21

log Kow used: 4.78 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 37.047 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 : 9.89E-005 atm-m3/mole (1.00E+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: 7.469E-005 atm-m3/mole (7.568E+000 Pa-m3/mole)

VP: 0.00353 mm Hg (source: MPBPVP)

WS: 12.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.78 (KowWin est)

Log Kaw used: -2.393 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.173

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4701

Biowin2 (Non-Linear Model) : 0.1821

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5532 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4110 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3196

Biowin6 (MITI Non-Linear Model): 0.2038

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1984

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): 0.456 Pa (0.00342 mm Hg)

Log Koa (Koawin est ): 7.173

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

Mackay model : 6.58E-006

Octanol/air (Koa) model: 3.66E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000238

Mackay model : 0.000526

Octanol/air (Koa) model: 0.000292

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 123.3767 E-12 cm3/molecule-sec

Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.040 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):

0.000382 (Junge-Pankow, Mackay avg)

0.000292 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 401 L/kg (MCI method)

Log Koc: 2.603 (MCI method)

Koc : 1438 L/kg (Kow method)

Log Koc: 3.158 (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 = 2.822 (BCF = 663.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3876 days (HL = 2.441 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.936 (BCF = 863.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.944 (BAF = 879.4)

log Kow used: 4.78 (estimated)

Volatilization from Water:

Henry LC: 9.89E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9.725 hours

Half-Life from Model Lake : 223.6 hours (9.316 days)

Removal In Wastewater Treatment:

Total removal: 70.20 percent

Total biodegradation: 0.61 percent

Total sludge adsorption: 68.28 percent

Total to Air: 1.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0373 0.488 1000

Water 16.1 900 1000

Soil 83.5 1.8e+003 1000

Sediment 0.359 8.1e+003 0

Persistence Time: 876 hr

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