SMILES : CCCCCCCC(C=C)O
CHEM : dec-1-en-3-ol
MOL FOR: C10 H20 O1
MOL WT : 156.27
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 3.58
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 220.08 (Adapted Stein & Brown method)
Melting Pt (deg C): -5.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0216 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 202.7
log Kow used: 3.58 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 134.57 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 4.07E-005 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.191E-005 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.58 (KowWin est)
Log Kaw used: -2.779 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.359
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9403
Biowin2 (Non-Linear Model) : 0.9770
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3121 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0208 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6732
Biowin6 (MITI Non-Linear Model): 0.8321
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3411
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): 2.64 Pa (0.0198 mm Hg)
Log Koa (Koawin est ): 6.359
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.14E-006
Octanol/air (Koa) model: 5.61E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.1E-005
Mackay model : 9.09E-005
Octanol/air (Koa) model: 4.49E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 43.1730 E-12 cm3/molecule-sec
Half-Life = 0.248 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.973 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi): 6.6E-005 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 84.45
Log Koc: 1.927
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.055 (BCF = 113.5)
log Kow used: 3.58 (estimated)
Volatilization from Water:
Henry LC: 4.07E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 30.63 hours (1.276 days)
Half-Life from Model Lake : 314.9 hours (13.12 days)
Removal In Wastewater Treatment:
Total removal: 16.68 percent
Total biodegradation: 0.20 percent
Total sludge adsorption: 14.64 percent
Total to Air: 1.85 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.832 4.72 1000
Water 26 208 1000
Soil 72.3 416 1000
Sediment 0.911 1.87e+003 0
Persistence Time: 275 hr