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CAS Num: 039770-05-3
SMILES : O=CCCCCCCCC=C
CHEM : 9-Decenal
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ 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) = 3.63
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 214.66 (Adapted Stein & Brown method)
Melting Pt (deg C): -9.39 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.172 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 23 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 58.11
log Kow used: 3.63 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 87.323 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aldehydes (Mono)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.88E-004 atm-m3/mole (4.94E+001 Pa-m3/mole)
Group Method: 3.01E-004 atm-m3/mole (3.05E+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: 6.007E-004 atm-m3/mole (6.087E+001 Pa-m3/mole)
VP: 0.172 mm Hg (source: MPBPVP)
WS: 58.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.63 (KowWin est)
Log Kaw used: -1.700 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.330
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9587
Biowin2 (Non-Linear Model) : 0.9997
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8806 (weeks )
Biowin4 (Primary Survey Model) : 3.8218 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0291
Biowin6 (MITI Non-Linear Model): 0.9803
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9200
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): 21.2 Pa (0.159 mm Hg)
Log Koa (Koawin est ): 5.330
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.42E-007
Octanol/air (Koa) model: 5.25E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.11E-006
Mackay model : 1.13E-005
Octanol/air (Koa) model: 4.2E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 59.2030 E-12 cm3/molecule-sec
Half-Life = 0.181 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.168 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):
8.22E-006 (Junge-Pankow, Mackay avg)
4.2E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 65.7 L/kg (MCI method)
Log Koc: 1.818 (MCI method)
Koc : 505.5 L/kg (Kow method)
Log Koc: 2.704 (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 = 2.060 (BCF = 114.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1057 days (HL = 0.7839 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.278 (BCF = 189.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.278 (BAF = 189.8)
log Kow used: 3.63 (estimated)
Volatilization from Water:
Henry LC: 0.000301 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 3.683 hours
Half-Life from Model Lake : 144.3 hours (6.013 days)
Removal In Wastewater Treatment:
Total removal: 25.82 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 15.26 percent
Total to Air: 10.37 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.05 3.65 1000
Water 30.4 360 1000
Soil 68.4 720 1000
Sediment 0.137 3.24e+003 0
Persistence Time: 274 hr