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CAS Number: 16106-95-9


CHEM : (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

MOL FOR: C15 H26 O1

MOL WT : 222.37

------------------------------ 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) = 5.77

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

Boiling Pt (deg C): 319.11 (Adapted Stein & Brown method)

Melting Pt (deg C): 3.24 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.94E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00525 (Modified Grain method)

MP (exp database): < 25 deg C

BP (exp database): 111 @ 0.35 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 1.287

log Kow used: 5.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 10.958 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 : 2.52E-004 atm-m3/mole (2.56E+001 Pa-m3/mole)

Group Method: 1.73E-005 atm-m3/mole (1.75E+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: 8.957E-006 atm-m3/mole (9.076E-001 Pa-m3/mole)

VP: 3.94E-005 mm Hg (source: MPBPVP)

WS: 1.29 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.77 (KowWin est)

Log Kaw used: -1.987 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.757

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8004

Biowin2 (Non-Linear Model) : 0.7249

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8677 (weeks )

Biowin4 (Primary Survey Model) : 3.6564 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4790

Biowin6 (MITI Non-Linear Model): 0.3591

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5599

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): 0.00525 Pa (3.94E-005 mm Hg)

Log Koa (Koawin est ): 7.757

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

Mackay model : 0.000571

Octanol/air (Koa) model: 1.4E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0202

Mackay model : 0.0437

Octanol/air (Koa) model: 0.00112

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 269.2483 E-12 cm3/molecule-sec

Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 28.602 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 129.000000 E-17 cm3/molecule-sec

Half-Life = 0.009 Days (at 7E11 mol/cm3)

Half-Life = 12.793 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0319 (Junge-Pankow, Mackay avg)

0.00112 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1666 L/kg (MCI method)

Log Koc: 3.222 (MCI method)

Koc : 5072 L/kg (Kow method)

Log Koc: 3.705 (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 = 3.472 (BCF = 2964 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0014 days (HL = 10.03 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.503 (BCF = 3181)

Log BAF Arnot-Gobas method (upper trophic) = 4.009 (BAF = 1.021e+004)

log Kow used: 5.77 (estimated)

Volatilization from Water:

Henry LC: 0.000252 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.986 hours

Half-Life from Model Lake : 179.4 hours (7.476 days)

Removal In Wastewater Treatment:

Total removal: 90.96 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 89.80 percent

Total to Air: 0.40 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0264 0.174 1000

Water 19.2 360 1000

Soil 79.8 720 1000

Sediment 1.03 3.24e+003 0

Persistence Time: 420 hr

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