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CAS Number: 29555-02-0
SMILES : C1(C(=O)O)C(C)C1
CHEM : 2-METHYLCYCLOPROPANECARBOXYLIC ACID
MOL FOR: C5 H8 O2
MOL WT : 100.12
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 1.30
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 185.29 (Adapted Stein & Brown method)
Melting Pt (deg C): 20.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.564 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 75.2 (Mean VP of Antoine & Grain methods)
BP (exp database): 191 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.248e+004
log Kow used: 1.30 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 52646 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.65E-007 atm-m3/mole (5.72E-002 Pa-m3/mole)
Group Method: 1.77E-007 atm-m3/mole (1.80E-002 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: 3.305E-006 atm-m3/mole (3.349E-001 Pa-m3/mole)
VP: 0.564 mm Hg (source: MPBPVP)
WS: 2.25E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.30 (KowWin est)
Log Kaw used: -4.636 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.936
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7726
Biowin2 (Non-Linear Model) : 0.9029
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3425 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0889 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6405
Biowin6 (MITI Non-Linear Model): 0.6829
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9022
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): 68.5 Pa (0.514 mm Hg)
Log Koa (Koawin est ): 5.936
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.38E-008
Octanol/air (Koa) model: 2.12E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.58E-006
Mackay model : 3.5E-006
Octanol/air (Koa) model: 1.69E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.8183 E-12 cm3/molecule-sec
Half-Life = 13.072 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.54E-006 (Junge-Pankow, Mackay avg)
1.69E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.477 L/kg (MCI method)
Log Koc: 0.651 (MCI method)
Koc : 7.495 L/kg (Kow method)
Log Koc: 0.875 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6472 days (HL = 0.2253 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.444 (BCF = 2.78)
Log BAF Arnot-Gobas method (upper trophic) = 0.444 (BAF = 2.78)
log Kow used: 1.30 (estimated)
Volatilization from Water:
Henry LC: 1.77E-007 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 3311 hours (138 days)
Half-Life from Model Lake : 3.62E+004 hours (1508 days)
Removal In Wastewater Treatment:
Total removal: 1.94 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.83 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.8 314 1000
Water 33.3 208 1000
Soil 62.9 416 1000
Sediment 0.0632 1.87e+003 0
Persistence Time: 339 hr