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: 010236-16-5
SMILES : O=C(OCC=C(CCCC(CCCC(CCCC(C)C)C)C)C)C
CHEM : 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, R- R*,R*-(E) -
MOL FOR: C22 H42 O2
MOL WT : 338.58
------------------------------ 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) = 9.32
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 363.22 (Adapted Stein & Brown method)
Melting Pt (deg C): 52.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.6E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0048 (Modified Grain method)
Subcooled liquid VP: 6.4E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00853 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7.898e-005
log Kow used: 9.32 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00055213 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.96E-002 atm-m3/mole (4.02E+003 Pa-m3/mole)
Group Method: 8.68E-002 atm-m3/mole (8.79E+003 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: 2.031E-001 atm-m3/mole (2.058E+004 Pa-m3/mole)
VP: 3.6E-005 mm Hg (source: MPBPVP)
WS: 7.9E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 9.32 (KowWin est)
Log Kaw used: 0.209 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.111
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7605
Biowin2 (Non-Linear Model) : 0.9072
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5912 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5882 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3994
Biowin6 (MITI Non-Linear Model): 0.3403
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2193
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): 0.00853 Pa (6.4E-005 mm Hg)
Log Koa (Koawin est ): 9.111
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000352
Octanol/air (Koa) model: 0.000317
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0125
Mackay model : 0.0274
Octanol/air (Koa) model: 0.0247
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 109.9511 E-12 cm3/molecule-sec
Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.167 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.0199 (Junge-Pankow, Mackay avg)
0.0247 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.575E+005 L/kg (MCI method)
Log Koc: 5.197 (MCI method)
Koc : 1.034E+006 L/kg (Kow method)
Log Koc: 6.015 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.467E-001 L/mol-sec
Kb Half-Life at pH 8: 23.141 days
Kb Half-Life at pH 7: 231.410 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.388 (BCF = 244.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9377 days (HL = 8.664 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.948 (BCF = 8.866)
Log BAF Arnot-Gobas method (upper trophic) = 2.977 (BAF = 948.8)
log Kow used: 9.32 (estimated)
Volatilization from Water:
Henry LC: 0.0868 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.89 hours
Half-Life from Model Lake : 174.9 hours (7.288 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.23 percent
Total to Air: 0.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0323 0.502 1000
Water 20.6 900 1000
Soil 77.5 1.8e+003 1000
Sediment 1.83 8.1e+003 0
Persistence Time: 898 hr