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CAS Num: 006382-06-5
SMILES : O=C(OCCCCC)C(O)C
CHEM : Lactic acid, Pentyl ester
MOL FOR: C8 H16 O3
MOL WT : 160.21
------------------------------ 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) = 1.29
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 226.30 (Adapted Stein & Brown method)
Melting Pt (deg C): 6.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0147 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.96 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.748e+004
log Kow used: 1.29 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+004 mg/L (25 deg C)
Exper. Ref: BEILSTEIN
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 20501 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.13E-004 atm-m3/mole (1.14E+001 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.773E-007 atm-m3/mole (1.796E-002 Pa-m3/mole)
VP: 0.0147 mm Hg (source: MPBPVP)
WS: 1.75E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.29 (KowWin est)
Log Kaw used: -2.335 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.625
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1126
Biowin2 (Non-Linear Model) : 0.9996
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4436 (days-weeks )
Biowin4 (Primary Survey Model) : 4.2441 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8882
Biowin6 (MITI Non-Linear Model): 0.9529
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6019
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): 1.81 Pa (0.0136 mm Hg)
Log Koa (Koawin est ): 3.625
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.65E-006
Octanol/air (Koa) model: 1.04E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.98E-005
Mackay model : 0.000132
Octanol/air (Koa) model: 8.28E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.3925 E-12 cm3/molecule-sec
Half-Life = 1.274 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.294 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
9.6E-005 (Junge-Pankow, Mackay avg)
8.28E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 14.51 L/kg (Kow method)
Log Koc: 1.162 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.482E-001 L/mol-sec
Kb Half-Life at pH 8: 8.460 days
Kb Half-Life at pH 7: 84.602 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.518 (BCF = 3.299 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9436 days (HL = 0.01139 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.167 (BCF = 1.469)
Log BAF Arnot-Gobas method (upper trophic) = 0.167 (BAF = 1.469)
log Kow used: 1.29 (estimated)
Volatilization from Water:
Henry LC: 0.000113 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7.85 hours
Half-Life from Model Lake : 191.8 hours (7.99 days)
Removal In Wastewater Treatment:
Total removal: 7.27 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 5.44 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.51 30.6 1000
Water 38 208 1000
Soil 54.4 416 1000
Sediment 0.08 1.87e+003 0
Persistence Time: 200 hr