SMILES : C(=CCCC=C(CCC=C(CCC=C(C)C)C)C)(CCC=C(CCC=C(C)C)C)C
CHEM : 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E
)-
CAS NUM: 000111-02-4
MOL FOR: C30 H50
MOL WT : 410.73
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 14.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 452.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 58.85 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.14E-006 (Modified Grain method)
MP (exp database): <-20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6.646e-010
log Kow used: 14.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.1073e-007 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 3.42E+002 atm-m3/mole
Group Method: 2.03E+000 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 9.270E+002 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 14.12 (KowWin est)
Log Kaw used: 4.146 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.974
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5520
Biowin2 (Non-Linear Model) : 0.0561
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2915 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2551 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0248
Biowin6 (MITI Non-Linear Model): 0.0089
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0183
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.3389
BioHC Half-Life (days) : 2.1823
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000152 Pa (1.14E-006 mm Hg)
Log Koa (Koawin est ): 9.974
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0197
Octanol/air (Koa) model: 0.00231
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.416
Mackay model : 0.612
Octanol/air (Koa) model: 0.156
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 533.9762 E-12 cm3/molecule-sec
Half-Life = 0.020 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 14.422 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 258.000000 E-17 cm3/molecule-sec
Half-Life = 0.004 Days (at 7E11 mol/cm3)
Half-Life = 6.396 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.514 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.494E+008
Log Koc: 8.174
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 14.12 (estimated)
Volatilization from Water:
Henry LC: 2.03 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.922 hours
Half-Life from Model Lake : 192.5 hours (8.021 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.00135 0.0873 1000
Water 1.9 900 1000
Soil 28 1.8e+003 1000
Sediment 70.1 8.1e+003 0
Persistence Time: 3.1e+003 hr