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CAS Num: 000112-31-2
SMILES : O=CCCCCCCCCC
CHEM : Decanal
MOL FOR: C10 H20 O1
MOL WT : 156.27
------------------------------ 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) = 3.76
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 216.09 (Adapted Stein & Brown method)
Melting Pt (deg C): -8.09 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.235 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 31.4 (Mean VP of Antoine & Grain methods)
MP (exp database): -5 deg C
BP (exp database): 208.5 deg C
VP (exp database): 1.03E-01 mm Hg (1.37E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 43.52
log Kow used: 3.76 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 85.498 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aldehydes (Mono)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.54E-004 atm-m3/mole (6.63E+001 Pa-m3/mole)
Group Method: 9.52E-004 atm-m3/mole (9.64E+001 Pa-m3/mole)
Exper Database: 1.80E-03 atm-m3/mole (1.82E+002 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: 1.110E-003 atm-m3/mole (1.125E+002 Pa-m3/mole)
VP: 0.235 mm Hg (source: MPBPVP)
WS: 43.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.76 (KowWin est)
Log Kaw used: -1.133 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.893
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0662
Biowin2 (Non-Linear Model) : 0.9999
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1745 (weeks )
Biowin4 (Primary Survey Model) : 4.0880 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0544
Biowin6 (MITI Non-Linear Model): 0.9854
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7693
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): 13.7 Pa (0.103 mm Hg)
Log Koa (Koawin est ): 4.893
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.18E-007
Octanol/air (Koa) model: 1.92E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.89E-006
Mackay model : 1.75E-005
Octanol/air (Koa) model: 1.53E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.4833 E-12 cm3/molecule-sec
Half-Life = 0.310 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.722 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.27E-005 (Junge-Pankow, Mackay avg)
1.53E-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 : 596.5 L/kg (Kow method)
Log Koc: 2.776 (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 = 2.150 (BCF = 141.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.0621 days (HL = 0.8668 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.359 (BCF = 228.6)
Log BAF Arnot-Gobas method (upper trophic) = 2.359 (BAF = 228.6)
log Kow used: 3.76 (estimated)
Volatilization from Water:
Henry LC: 0.0018 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.682 hours
Half-Life from Model Lake : 123.2 hours (5.132 days)
Removal In Wastewater Treatment:
Total removal: 51.48 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 16.65 percent
Total to Air: 34.66 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 5.09 7.44 1000
Water 47.4 360 1000
Soil 47.3 720 1000
Sediment 0.214 3.24e+003 0
Persistence Time: 141 hr