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CAS Num: 000502-61-4


CHEM : 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-

MOL FOR: C15 H24

MOL WT : 204.36

------------------------------ 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) = 7.10

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

Boiling Pt (deg C): 261.11 (Adapted Stein & Brown method)

Melting Pt (deg C): -17.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.025 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.33 (Mean VP of Antoine & Grain methods)

MP (exp database): < 25 deg C

BP (exp database): 125 @ 12 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 0.01053

log Kow used: 7.10 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.42892 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.64E+000 atm-m3/mole (2.68E+005 Pa-m3/mole)

Group Method: 1.02E-001 atm-m3/mole (1.03E+004 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: 6.384E-001 atm-m3/mole (6.469E+004 Pa-m3/mole)

VP: 0.025 mm Hg (source: MPBPVP)

WS: 0.0105 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.10 (KowWin est)

Log Kaw used: 2.033 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.067

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6503

Biowin2 (Non-Linear Model) : 0.5267

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7476 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5529 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2912

Biowin6 (MITI Non-Linear Model): 0.1374

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1546

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.2616

BioHC Half-Life (days) : 1.8265

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 3.33 Pa (0.025 mm Hg)

Log Koa (Koawin est ): 5.067

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

Mackay model : 9E-007

Octanol/air (Koa) model: 2.86E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.25E-005

Mackay model : 7.2E-005

Octanol/air (Koa) model: 2.29E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 319.5756 E-12 cm3/molecule-sec

Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 24.098 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 104.000000 E-17 cm3/molecule-sec

Half-Life = 0.011 Days (at 7E11 mol/cm3)

Half-Life = 15.868 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

5.23E-005 (Junge-Pankow, Mackay avg)

2.29E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.901E+004 L/kg (MCI method)

Log Koc: 4.279 (MCI method)

Koc : 1.451E+006 L/kg (Kow method)

Log Koc: 6.162 (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 = 4.077 (BCF = 1.195e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7656 days (HL = 58.29 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.618 (BCF = 4146)

Log BAF Arnot-Gobas method (upper trophic) = 6.181 (BAF = 1.517e+006)

log Kow used: 7.10 (estimated)

Volatilization from Water:

Henry LC: 0.102 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.467 hours

Half-Life from Model Lake : 135.9 hours (5.661 days)

Removal In Wastewater Treatment:

Total removal: 94.68 percent

Total biodegradation: 0.70 percent

Total sludge adsorption: 88.76 percent

Total to Air: 5.23 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0483 0.199 1000

Water 23.5 900 1000

Soil 60.6 1.8e+003 1000

Sediment 15.9 8.1e+003 0

Persistence Time: 425 hr

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