This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 000071-41-0
SMILES : OCCCCC
CHEM : 1-Pentanol
MOL FOR: C5 H12 O1
MOL WT : 88.15
------------------------------ 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) = 1.33
Log Kow (Exper. database match) = 1.51
Exper. Ref: SANGSTER (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 136.95 (Adapted Stein & Brown method)
Melting Pt (deg C): -49.96 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.65 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 353 (Mean VP of Antoine & Grain methods)
MP (exp database): -78.9 deg C
BP (exp database): 137.9 deg C
VP (exp database): 2.20E+00 mm Hg (2.93E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.089e+004
log Kow used: 1.51 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 2.2e+004 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 21200 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.33E-005 atm-m3/mole (1.34E+000 Pa-m3/mole)
Group Method: 1.38E-005 atm-m3/mole (1.39E+000 Pa-m3/mole)
Exper Database: 1.30E-05 atm-m3/mole (1.32E+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: 1.471E-005 atm-m3/mole (1.491E+000 Pa-m3/mole)
VP: 2.65 mm Hg (source: MPBPVP)
WS: 2.09E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.51 (exp database)
Log Kaw used: -3.275 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.785
Log Koa (experimental database): 4.690
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9727
Biowin2 (Non-Linear Model) : 0.9912
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4627 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1191 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8091
Biowin6 (MITI Non-Linear Model): 0.9383
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6755
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): 293 Pa (2.2 mm Hg)
Log Koa (Exp database): 4.690
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.02E-008
Octanol/air (Koa) model: 1.2E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.69E-007
Mackay model : 8.18E-007
Octanol/air (Koa) model: 9.62E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.3031 E-12 cm3/molecule-sec
Half-Life = 1.288 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.458 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
5.94E-007 (Junge-Pankow, Mackay avg)
9.62E-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 : 22.33 L/kg (Kow method)
Log Koc: 1.349 (Kow method)
Experimental Log Koc: 0.7 (database)
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 = 0.663 (BCF = 4.606 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9846 days (HL = 0.1036 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.546 (BCF = 3.516)
Log BAF Arnot-Gobas method (upper trophic) = 0.546 (BAF = 3.516)
log Kow used: 1.51 (expkow database)
Volatilization from Water:
Henry LC: 1.3E-005 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 43.24 hours (1.802 days)
Half-Life from Model Lake : 550.5 hours (22.94 days)
Removal In Wastewater Treatment:
Total removal: 2.69 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.87 percent
Total to Air: 0.72 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.86 23.1 1000
Water 38.8 208 1000
Soil 57.3 416 1000
Sediment 0.0764 1.87e+003 0
Persistence Time: 239 hr