This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 79577-58-5
SMILES : CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C
CHEM : (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-
ol
MOL FOR: C25 H42 O1
MOL WT : 358.61
------------------------------ EPI SUMMARY (v4.00) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 10.36
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 437.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 76.98 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.48E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 5.98E-007 (Modified Grain method)
Subcooled liquid VP: 1.4E-008 mm Hg (25 deg C, Mod-Grain method)
: 1.86E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.526e-005
log Kow used: 10.36 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00099601 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 : 4.62E-003 atm-m3/mole (4.68E+002 Pa-m3/mole)
Group Method: 4.15E-005 atm-m3/mole (4.21E+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: 8.369E-005 atm-m3/mole (8.479E+000 Pa-m3/mole)
VP: 4.48E-009 mm Hg (source: MPBPVP)
WS: 2.53E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.36 (KowWin est)
Log Kaw used: -0.724 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.084
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7355
Biowin2 (Non-Linear Model) : 0.2757
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5667 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4598 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2846
Biowin6 (MITI Non-Linear Model): 0.0631
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3577
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): 1.87E-006 Pa (1.4E-008 mm Hg)
Log Koa (Koawin est ): 11.084
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.61
Octanol/air (Koa) model: 0.0298
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.983
Mackay model : 0.992
Octanol/air (Koa) model: 0.704
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 447.9156 E-12 cm3/molecule-sec
Half-Life = 0.024 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 17.193 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 215.000000 E-17 cm3/molecule-sec
Half-Life = 0.005 Days (at 7E11 mol/cm3)
Half-Life = 7.676 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.988 (Junge-Pankow, Mackay avg)
0.704 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.219E+005 L/kg (MCI method)
Log Koc: 5.718 (MCI method)
Koc : 1.754E+006 L/kg (Kow method)
Log Koc: 6.244 (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 = 1.881 (BCF = 76.04 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.8484 days (HL = 705.4 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.378 (BCF = 23.9)
Log BAF Arnot-Gobas method (upper trophic) = 5.010 (BAF = 1.024e+005)
log Kow used: 10.36 (estimated)
Volatilization from Water:
Henry LC: 0.00462 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.172 hours
Half-Life from Model Lake : 182.5 hours (7.604 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 0.00475 0.105 1000
Water 17.8 900 1000
Soil 81.8 1.8e+003 1000
Sediment 0.482 8.1e+003 0
Persistence Time: 1.06e+003 hr