SMILES : OC(C=C)CC
CHEM : 1-Penten-3-ol
CAS NUM: 000616-25-1
MOL FOR: C5 H10 O1
MOL WT : 86.13
------------------------------ 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) = 1.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 113.89 (Adapted Stein & Brown method)
Melting Pt (deg C): -65.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.13 (Mean VP of Antoine & Grain methods)
BP (exp database): 115 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.526e+004
log Kow used: 1.12 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 9.01e+004 mg/L (25 deg C)
Exper. Ref: SUZUKI,T (1991)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 35921 mg/L
Wat Sol (Exper. database match) = 90100.00
Exper. Ref: SUZUKI,T (1991)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 9.88E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.286E-005 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.12 (KowWin est)
Log Kaw used: -3.394 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.514
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8653
Biowin2 (Non-Linear Model) : 0.9480
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1688 (weeks )
Biowin4 (Primary Survey Model) : 3.8529 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6348
Biowin6 (MITI Non-Linear Model): 0.8143
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5288
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): 1.13E+003 Pa (8.44 mm Hg)
Log Koa (Koawin est ): 4.514
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.67E-009
Octanol/air (Koa) model: 8.02E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.63E-008
Mackay model : 2.13E-007
Octanol/air (Koa) model: 6.41E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 36.1078 E-12 cm3/molecule-sec
Half-Life = 0.296 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.555 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): 1.55E-007 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 3.957
Log Koc: 0.597
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 = 0.164 (BCF = 1.459)
log Kow used: 1.12 (estimated)
Volatilization from Water:
Henry LC: 9.88E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 85.21 hours (3.55 days)
Half-Life from Model Lake : 688.1 hours (28.67 days)
Removal In Wastewater Treatment:
Total removal: 2.44 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 percent
Total to Air: 0.55 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.82 5.43 1000
Water 43.2 360 1000
Soil 55.9 720 1000
Sediment 0.0889 3.24e+003 0
Persistence Time: 341 hr