SMILES : OCCCCCCCCC=C
CHEM : 9-Decen-1-ol
CAS NUM: 013019-22-2
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) = 3.65
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 237.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 6.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00796 (Mean VP of Antoine & Grain methods)
BP (exp database): 236 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 175.4
log Kow used: 3.65 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 80.297 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 4.07E-005 atm-m3/mole
Group Method: 2.45E-005 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 9.331E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.65 (KowWin est)
Log Kaw used: -2.779 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.429
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8319
Biowin2 (Non-Linear Model) : 0.8707
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0138 (weeks )
Biowin4 (Primary Survey Model) : 3.7517 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8223
Biowin6 (MITI Non-Linear Model): 0.9269
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9562
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): 1 Pa (0.0075 mm Hg)
Log Koa (Koawin est ): 6.429
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3E-006
Octanol/air (Koa) model: 6.59E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000108
Mackay model : 0.00024
Octanol/air (Koa) model: 5.27E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.0880 E-12 cm3/molecule-sec
Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.202 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): 0.000174 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 96.17
Log Koc: 1.983
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 = 2.111 (BCF = 129.2)
log Kow used: 3.65 (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: 18.56 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 16.54 percent
Total to Air: 1.81 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.55 5 1000
Water 22.5 360 1000
Soil 75.6 720 1000
Sediment 1.36 3.24e+003 0
Persistence Time: 453 hr