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CAS Number: 35153-18-5
SMILES : OCCCCCCCCCCC=CCC
CHEM : 11-Tetradecen-1-ol, (E)-
MOL FOR: C14 H28 O1
MOL WT : 212.38
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 308.09 (Adapted Stein & Brown method)
Melting Pt (deg C): 39.15 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.98E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00797 (Modified Grain method)
Subcooled liquid VP: 8.02E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0107 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.282
log Kow used: 5.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.6591 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.49E-004 atm-m3/mole (1.51E+001 Pa-m3/mole)
Group Method: 8.10E-005 atm-m3/mole (8.21E+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: 7.323E-006 atm-m3/mole (7.420E-001 Pa-m3/mole)
VP: 5.98E-005 mm Hg (source: MPBPVP)
WS: 2.28 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.54 (KowWin est)
Log Kaw used: -2.215 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.755
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9136
Biowin2 (Non-Linear Model) : 0.9505
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1882 (weeks )
Biowin4 (Primary Survey Model) : 3.9398 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7978
Biowin6 (MITI Non-Linear Model): 0.9002
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7104
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0107 Pa (8.02E-005 mm Hg)
Log Koa (Koawin est ): 7.755
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000281
Octanol/air (Koa) model: 1.4E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.01
Mackay model : 0.022
Octanol/air (Koa) model: 0.00112
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 74.1154 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 81.7154 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.732 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.571 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.016 (Junge-Pankow, Mackay avg)
0.00112 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1403 L/kg (MCI method)
Log Koc: 3.147 (MCI method)
Koc : 3784 L/kg (Kow method)
Log Koc: 3.578 (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 v3.01):
Log BCF from regression-based method = 1.946 (BCF = 88.31 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3015 days (HL = 2.002 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.881 (BCF = 761)
Log BAF Arnot-Gobas method (upper trophic) = 2.911 (BAF = 814.5)
log Kow used: 5.54 (estimated)
Volatilization from Water:
Henry LC: 0.000149 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7.214 hours
Half-Life from Model Lake : 200.9 hours (8.37 days)
Removal In Wastewater Treatment:
Total removal: 88.87 percent
Total biodegradation: 0.74 percent
Total sludge adsorption: 87.71 percent
Total to Air: 0.41 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.182 1.31 1000
Water 20.3 360 1000
Soil 78.6 720 1000
Sediment 0.948 3.24e+003 0
Persistence Time: 429 hr