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 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