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CAS Num: 000764-38-5
SMILES : OCCC=CC
CHEM : 3-PENTEN-1-OL, (Z)-
MOL FOR: C5 H10 O1
MOL WT : 86.13
------------------------------ 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) = 1.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 143.87 (Adapted Stein & Brown method)
Melting Pt (deg C): -50.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.9 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 254 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.572e+004
log Kow used: 1.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 45827 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.17E-005 atm-m3/mole (1.18E+000 Pa-m3/mole)
Group Method: 3.01E-006 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: 4.710E-006 atm-m3/mole (4.772E-001 Pa-m3/mole)
VP: 1.9 mm Hg (source: MPBPVP)
WS: 4.57E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.12 (KowWin est)
Log Kaw used: -3.320 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.440
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9737
Biowin2 (Non-Linear Model) : 0.9914
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4671 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1220 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7286
Biowin6 (MITI Non-Linear Model): 0.8785
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4765
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): 228 Pa (1.71 mm Hg)
Log Koa (Koawin est ): 4.440
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.32E-008
Octanol/air (Koa) model: 6.76E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.75E-007
Mackay model : 1.05E-006
Octanol/air (Koa) model: 5.41E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 61.8457 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 69.4457 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 2.075 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.848 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):
7.64E-007 (Junge-Pankow, Mackay avg)
5.41E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.325 L/kg (MCI method)
Log Koc: 0.801 (MCI method)
Koc : 13.59 L/kg (Kow method)
Log Koc: 1.133 (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 = 0.404 (BCF = 2.535 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9509 days (HL = 0.112 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.303 (BCF = 2.011)
Log BAF Arnot-Gobas method (upper trophic) = 0.303 (BAF = 2.011)
log Kow used: 1.12 (estimated)
Volatilization from Water:
Henry LC: 1.17E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 47.39 hours (1.975 days)
Half-Life from Model Lake : 594.8 hours (24.78 days)
Removal In Wastewater Treatment:
Total removal: 2.54 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 percent
Total to Air: 0.65 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.321 1.4 1000
Water 40 208 1000
Soil 59.6 416 1000
Sediment 0.0788 1.87e+003 0
Persistence Time: 230 hr