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CAS Num: 000505-32-8

SMILES : OC(C=C)(CCCC(CCCC(CCCC(C)C)C)C)C

CHEM : 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-

MOL FOR: C20 H40 O1

MOL WT : 296.54

------------------------------ 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) = 8.23

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

Boiling Pt (deg C): 334.88 (Adapted Stein & Brown method)

Melting Pt (deg C): 70.18 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.41E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00188 (Modified Grain method)

MP (exp database): < 25 deg C

BP (exp database): 126.5 @ 0.06 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 0.003893

log Kow used: 8.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0075269 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 : 6.92E-004 atm-m3/mole (7.02E+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: 1.413E-003 atm-m3/mole (1.432E+002 Pa-m3/mole)

VP: 1.41E-005 mm Hg (source: MPBPVP)

WS: 0.00389 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.23 (KowWin est)

Log Kaw used: -1.548 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.778

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4224

Biowin2 (Non-Linear Model) : 0.0509

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3317 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2665 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2109

Biowin6 (MITI Non-Linear Model): 0.1316

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3802

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): 0.00188 Pa (1.41E-005 mm Hg)

Log Koa (Koawin est ): 9.778

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

Mackay model : 0.0016

Octanol/air (Koa) model: 0.00147

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0545

Mackay model : 0.113

Octanol/air (Koa) model: 0.105

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 51.5521 E-12 cm3/molecule-sec

Half-Life = 0.207 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.490 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.0839 (Junge-Pankow, Mackay avg)

0.105 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.357E+004 L/kg (MCI method)

Log Koc: 4.372 (MCI method)

Koc : 1.164E+005 L/kg (Kow method)

Log Koc: 5.066 (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 = 2.925 (BCF = 840.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0997 days (HL = 12.58 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.136 (BCF = 136.7)

Log BAF Arnot-Gobas method (upper trophic) = 4.389 (BAF = 2.449e+004)

log Kow used: 8.23 (estimated)

Volatilization from Water:

Henry LC: 0.000692 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.214 hours

Half-Life from Model Lake : 179.5 hours (7.477 days)

Removal In Wastewater Treatment:

Total removal: 94.02 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.24 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.228 4.83 1000

Water 16 900 1000

Soil 81.4 1.8e+003 1000

Sediment 2.35 8.1e+003 0

Persistence Time: 1.05e+003 hr

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