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CAS Num: 000143-28-2
SMILES : OCCCCCCCCC=CCCCCCCCC
CHEM : 9-Octadecen-1-ol, (Z)-
MOL FOR: C18 H36 O1
MOL WT : 268.49
------------------------------ 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) = 7.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 358.24 (Adapted Stein & Brown method)
Melting Pt (deg C): 85.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.49E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00199 (Modified Grain method)
MP (exp database): 6.5 deg C
BP (exp database): 334 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.02367
log Kow used: 7.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.014915 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.64E-004 atm-m3/mole (4.70E+001 Pa-m3/mole)
Group Method: 3.22E-004 atm-m3/mole (3.27E+001 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: 2.224E-004 atm-m3/mole (2.253E+001 Pa-m3/mole)
VP: 1.49E-005 mm Hg (source: MPBPVP)
WS: 0.0237 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.50 (KowWin est)
Log Kaw used: -1.722 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.222
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8869
Biowin2 (Non-Linear Model) : 0.8964
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0642 (weeks )
Biowin4 (Primary Survey Model) : 3.8589 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8286
Biowin6 (MITI Non-Linear Model): 0.9087
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8143
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): 0.00199 Pa (1.49E-005 mm Hg)
Log Koa (Koawin est ): 9.222
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00151
Octanol/air (Koa) model: 0.000409
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0517
Mackay model : 0.108
Octanol/air (Koa) model: 0.0317
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 79.7181 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 87.3181 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.610 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.470 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):
0.0798 (Junge-Pankow, Mackay avg)
0.0317 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.547E+004 L/kg (MCI method)
Log Koc: 4.190 (MCI method)
Koc : 4.593E+004 L/kg (Kow method)
Log Koc: 4.662 (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 = 3.282 (BCF = 1913 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8581 days (HL = 7.213 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.571 (BCF = 372.8)
Log BAF Arnot-Gobas method (upper trophic) = 4.170 (BAF = 1.48e+004)
log Kow used: 7.50 (estimated)
Volatilization from Water:
Henry LC: 0.000464 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.74 hours
Half-Life from Model Lake : 178.2 hours (7.425 days)
Removal In Wastewater Treatment:
Total removal: 93.98 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.19 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.156 1.28 1000
Water 20.4 360 1000
Soil 75.8 720 1000
Sediment 3.64 3.24e+003 0
Persistence Time: 455 hr