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CAS Number: 56578-18-8
SMILES : OCCCCC=CCCCC
CHEM : 5-Decen-1-ol, (E)-
MOL FOR: C10 H20 O1
MOL WT : 156.27
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 3.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 244.14 (Adapted Stein & Brown method)
Melting Pt (deg C): 6.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00474 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 0.632 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 204.8
log Kow used: 3.57 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 171.68 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.81E-005 atm-m3/mole (4.87E+000 Pa-m3/mole)
Group Method: 2.03E-005 atm-m3/mole (2.06E+000 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: 4.759E-006 atm-m3/mole (4.822E-001 Pa-m3/mole)
VP: 0.00474 mm Hg (source: MPBPVP)
WS: 205 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.57 (KowWin est)
Log Kaw used: -2.706 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.276
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) : 0.7671
Biowin6 (MITI Non-Linear Model): 0.8910
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6064
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): 0.605 Pa (0.00454 mm Hg)
Log Koa (Koawin est ): 6.276
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.96E-006
Octanol/air (Koa) model: 4.63E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000179
Mackay model : 0.000396
Octanol/air (Koa) model: 3.71E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 68.4138 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 76.0138 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.876 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.689 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):
0.000288 (Junge-Pankow, Mackay avg)
3.71E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 127.1 L/kg (MCI method)
Log Koc: 2.104 (MCI method)
Koc : 307.8 L/kg (Kow method)
Log Koc: 2.488 (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 v3.01):
Log BCF from regression-based method = 2.024 (BCF = 105.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2551 days (HL = 0.5558 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.167 (BCF = 146.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.167 (BAF = 146.8)
log Kow used: 3.57 (estimated)
Volatilization from Water:
Henry LC: 4.81E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 16.49 hours
Half-Life from Model Lake : 284.7 hours (11.86 days)
Removal In Wastewater Treatment:
Total removal: 16.72 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 14.36 percent
Total to Air: 2.17 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.279 1.35 1000
Water 28.4 208 1000
Soil 71.2 416 1000
Sediment 0.165 1.87e+003 0
Persistence Time: 258 hr